7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C21H20N6O — CID 135090985

IUPAC7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCc4[nH]cnc4C3c3ccccn3)cc(=O)n2c1
InChIInChI=1S/C21H20N6O/c1-14-5-6-18-25-15(10-19(28)27(18)11-14)12-26-9-7-16-20(24-13-23-16)21(26)17-4-2-3-8-22-17/h2-6,8,10-11,13,21H,7,9,12H2,1H3,(H,23,24)
InChIKeyUJQJASBSXJXTLA-UHFFFAOYSA-N
MW372.43 g/mol
LogP2.27
Rot. Bonds3

About 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 135090985) has the molecular formula C21H20N6O and a molecular weight of 372.43 g/mol. Its IUPAC name is 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID135090985
Molecular FormulaC21H20N6O
Molecular Weight372.43 g/mol
Exact Mass372.17
IUPAC Name7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCc4[nH]cnc4C3c3ccccn3)cc(=O)n2c1
InChIInChI=1S/C21H20N6O/c1-14-5-6-18-25-15(10-19(28)27(18)11-14)12-26-9-7-16-20(24-13-23-16)21(26)17-4-2-3-8-22-17/h2-6,8,10-11,13,21H,7,9,12H2,1H3,(H,23,24)
InChIKeyUJQJASBSXJXTLA-UHFFFAOYSA-N
XLogP2.27
TPSA79.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.43
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

(4R)-5-[(2-phenylpyrazol-3-yl)methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 95218766
5-[[3-(pyrazol-1-ylmethyl)phenyl]methyl]-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 56708230
3-methyl-5-[2-[(4R)-4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethyl]-1H-pyrimidine-2,4-dione
CID 124906882
1-[(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]pyrrolidine-2-carboxylic acid
CID 43441956
(7-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl pyridine-2-carboxylate
CID 7678760
N-[4-[5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 56721710
N-[4-[(4S)-5-(pyridin-2-ylmethyl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-4-yl]phenyl]acetamide
CID 95228510
2-[(4-aminopiperidin-1-yl)methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 43556457
7-methyl-2-[(2-methylphenoxy)methyl]pyrido[1,2-a]pyrimidin-4-one
CID 42904358
2-[[2-(2-methoxyphenyl)piperazin-1-yl]methyl]-7-methylpyrido[1,2-a]pyrimidin-4-one
CID 120753391
7-methyl-2-[[2-(1-methylpyrrol-2-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 17421351
7-methyl-2-[[(2R)-2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95354290

Frequently Asked Questions

What is the IUPAC name of 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 135090985) is 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCc4[nH]cnc4C3c3ccccn3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UJQJASBSXJXTLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O/c1-14-5-6-18-25-15(10-19(28)27(18)11-14)12-26-9-7-16-20(24-13-23-16)21(26)17-4-2-3-8-22-17/h2-6,8,10-11,13,21H,7,9,12H2,1H3,(H,23,24).
What are the key properties of 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 372.43 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methyl-2-[(4-pyridin-2-yl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 135090985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).