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CAT: 0926-UIC98875-03Size: 100 mgDry Ice: NoHazardous: No
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CAT#:0926-UIC98875-03Size:100 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1469988-75-7
MDL Number
MFCD22124682
Smiles
CN1C=C (C=N1) C2=CC3=C4C (=CN=C3C=C2) C=CC (=O) N4C5=CC6=C (CCN6C (=O) C=C) C=C5
Molecular Formula
C27H21N5O2
Molecular Weight
447.49 g/mol
Controlled
No

Chemical Information

9-(1-Methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone

9-(1-methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone is a naphthyridine derivative.

CAS Number1469988-75-7
PubChem CID71748056
IUPAC Name9-(1-methylpyrazol-4-yl)-1-(1-prop-2-enoyl-2,3-dihydroindol-6-yl)benzo[h][1,6]naphthyridin-2-one
Molecular FormulaC27H21N5O2
Molecular Weight447.5
XLogP3.3
Topological Polar Surface Area71.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Heavy Atom Count34
Formal Charge0
Complexity860
SMILES
CN1C=C(C=N1)C2=CC3=C4C(=CN=C3C=C2)C=CC(=O)N4C5=CC6=C(CCN6C(=O)C=C)C=C5
InChI
InChI=1S/C27H21N5O2/c1-3-25(33)31-11-10-17-4-7-21(13-24(17)31)32-26(34)9-6-19-14-28-23-8-5-18(12-22(23)27(19)32)20-15-29-30(2)16-20/h3-9,12-16H,1,10-11H2,2H3
InChIKey
RTRNJQOBEOISFQ-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of 9-(1-Methyl-4-pyrazolyl)-1-[1-(1-oxoprop-2-enyl)-2,3-dihydroindol-6-yl]-2-benzo[h][1,6]naphthyridinone
CAS: 1469988-75-7
CID: 71748056
Formula: C27H21N5O2
MW: 447.5
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight447.5
XLogP33.3
Hydrogen Bond Donor Count0
Hydrogen Bond Acceptor Count4
Rotatable Bond Count3
Exact Mass447.16952493
Monoisotopic Mass447.16952493
Topological Polar Surface Area71.3 Ų
Heavy Atom Count34
Formal Charge0
Complexity860
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count0
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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