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QL-X-138

CAT: 0607-BA1624-1Size: 1 mgDry Ice: NoHazardous: No
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CAT#:0607-BA1624-1Size:1 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
1469988-63-3
Form
A solid
Molecular Formula
C25H19N5O2
Molecular Weight
421.45
Shipping Conditions
Blue ice
Storage Conditions
-20°C.

Chemical Information

N-[2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)-1-benzo[h][1,6]naphthyridinyl]phenyl]-2-propenamide

N-[2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)-1-benzo[h][1,6]naphthyridinyl]phenyl]-2-propenamide is a naphthyridine derivative.

CAS Number1469988-63-3
PubChem CID73707530
IUPAC NameN-[2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)benzo[h][1,6]naphthyridin-1-yl]phenyl]prop-2-enamide
Molecular FormulaC25H19N5O2
Molecular Weight421.4
XLogP3.4
Topological Polar Surface Area91
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Heavy Atom Count32
Formal Charge0
Complexity769
SMILES
CC1=C(C=C(C=C1)N2C(=O)C=CC3=CN=C4C=CC(=CC4=C32)C5=CNN=C5)NC(=O)C=C
InChI
InChI=1S/C25H19N5O2/c1-3-23(31)29-22-11-19(7-4-15(22)2)30-24(32)9-6-17-12-26-21-8-5-16(10-20(21)25(17)30)18-13-27-28-14-18/h3-14H,1H2,2H3,(H,27,28)(H,29,31)
InChIKey
JMVDIGHUQAXWIE-UHFFFAOYSA-N
Chemical Structure
2D Structure
2D structure of N-[2-methyl-5-[2-oxo-9-(1H-pyrazol-4-yl)-1-benzo[h][1,6]naphthyridinyl]phenyl]-2-propenamide
CAS: 1469988-63-3
CID: 73707530
Formula: C25H19N5O2
MW: 421.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight421.4
XLogP33.4
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count4
Rotatable Bond Count4
Exact Mass421.15387487
Monoisotopic Mass421.15387487
Topological Polar Surface Area91 Ų
Heavy Atom Count32
Formal Charge0
Complexity769
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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