3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide

C19H18N6O2 — CID 176504414

IUPAC3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)Cn1cnc2cc(C(=O)Nc3cnc4ccccn4c3=O)cnc21
InChIInChI=1S/C19H18N6O2/c1-12(2)10-24-11-22-14-7-13(8-21-17(14)24)18(26)23-15-9-20-16-5-3-4-6-25(16)19(15)27/h3-9,11-12H,10H2,1-2H3,(H,23,26)
InChIKeyJXQJKSRRHIEXDB-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.35
Rot. Bonds4

About 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide

3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide (PubChem CID 176504414) has the molecular formula C19H18N6O2 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide.

Molecular Properties

Compound Name3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
PubChem CID176504414
Molecular FormulaC19H18N6O2
Molecular Weight362.39 g/mol
Exact Mass362.15
IUPAC Name3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide
SMILESCC(C)Cn1cnc2cc(C(=O)Nc3cnc4ccccn4c3=O)cnc21
InChIInChI=1S/C19H18N6O2/c1-12(2)10-24-11-22-14-7-13(8-21-17(14)24)18(26)23-15-9-20-16-5-3-4-6-25(16)19(15)27/h3-9,11-12H,10H2,1-2H3,(H,23,26)
InChIKeyJXQJKSRRHIEXDB-UHFFFAOYSA-N
XLogP2.35
TPSA94.18 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The IUPAC name of 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide (CID 176504414) is 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide.
What is the SMILES notation for 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The canonical SMILES for 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide is CC(C)Cn1cnc2cc(C(=O)Nc3cnc4ccccn4c3=O)cnc21.
What is the InChIKey of 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
The InChIKey is JXQJKSRRHIEXDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N6O2/c1-12(2)10-24-11-22-14-7-13(8-21-17(14)24)18(26)23-15-9-20-16-5-3-4-6-25(16)19(15)27/h3-9,11-12H,10H2,1-2H3,(H,23,26).
What are the key properties of 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide?
3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide has a molecular weight of 362.39 g/mol, XLogP of 2.35, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methylpropyl)-N-(4-oxopyrido[1,2-a]pyrimidin-3-yl)imidazo[4,5-b]pyridine-6-carboxamide is sourced from PubChem (CID 176504414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).