SMN-C3

CAT: 0926-ZHC59734-02Size: 2 mgDry Ice: NoHazardous: No

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CAT#:0926-ZHC59734-02Size:2 mg

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24/48H Stock Items & 2 to 6 Weeks non Stock Items.

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CAS Number

1449597-34-5

MDL Number

MFCD31692413

Smiles

CCN1CCC (CC1) C2=CN3C (=O) C=C (N=C3C (=C2) C) C4=NN5C=C (N=C (C5=C4) C) C

Molecular Formula

C24H28N6O

Molecular Weight

416.5 g/mol

Controlled

Chemical Information

Unii-MV8T2mck57

CAS Number	1449597-34-5
PubChem CID	89741632
IUPAC Name	2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-7-(1-ethylpiperidin-4-yl)-9-methylpyrido[1,2-a]pyrimidin-4-one
Molecular Formula	C24H28N6O
Molecular Weight	416.5
XLogP	1.5
Topological Polar Surface Area	66.1
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Heavy Atom Count	31
Formal Charge	0
Complexity	865

SMILES

CCN1CCC(CC1)C2=CN3C(=O)C=C(N=C3C(=C2)C)C4=NN5C=C(N=C(C5=C4)C)C

InChI

InChI=1S/C24H28N6O/c1-5-28-8-6-18(7-9-28)19-10-15(2)24-26-20(12-23(31)29(24)14-19)21-11-22-17(4)25-16(3)13-30(22)27-21/h10-14,18H,5-9H2,1-4H3

InChIKey

ZACWYYKZMLGOTG-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 1449597-34-5

CID: 89741632

Formula: C24H28N6O

MW: 416.5

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	416.5
XLogP3	1.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	3
Exact Mass	416.23245954
Monoisotopic Mass	416.23245954
Topological Polar Surface Area	66.1 Å²
Heavy Atom Count	31
Formal Charge	0
Complexity	865
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes