9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

C18H19N3OS — CID 47055883

IUPAC9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC3c3ccsc3)nc12
InChIInChI=1S/C18H19N3OS/c1-13-4-2-8-21-17(22)10-15(19-18(13)21)11-20-7-3-5-16(20)14-6-9-23-12-14/h2,4,6,8-10,12,16H,3,5,7,11H2,1H3
InChIKeyPKYBRLNTEBLDOY-UHFFFAOYSA-N
MW325.44 g/mol
LogP3.40
Rot. Bonds3

About 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 47055883) has the molecular formula C18H19N3OS and a molecular weight of 325.44 g/mol. Its IUPAC name is 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID47055883
Molecular FormulaC18H19N3OS
Molecular Weight325.44 g/mol
Exact Mass325.12
IUPAC Name9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCCC3c3ccsc3)nc12
InChIInChI=1S/C18H19N3OS/c1-13-4-2-8-21-17(22)10-15(19-18(13)21)11-20-7-3-5-16(20)14-6-9-23-12-14/h2,4,6,8-10,12,16H,3,5,7,11H2,1H3
InChIKeyPKYBRLNTEBLDOY-UHFFFAOYSA-N
XLogP3.40
TPSA37.61 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.44
LogP ≤ 53.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

9-methyl-2-[[(2R)-2-(4-methylphenyl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95283627
2-[[(2R)-2-(4-methoxyphenyl)pyrrolidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 92861391
9-methyl-2-[[(2S)-2-thiophen-2-ylpyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9119024
9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95570789
9-methyl-2-[[4-(thiophen-3-ylmethyl)piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 46631682
9-methyl-2-[[(2S)-2-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95609825
9-methyl-2-[[(1S)-1-phenyl-3,4-dihydro-1H-pyrrolo[1,2-a]pyrazin-2-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92845335
9-methyl-2-[[(3R)-3-(trifluoromethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 92861380
9-methyl-2-[(2-methylpiperazin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one;hydrochloride
CID 119916529
2-[[3-(1-aminoethyl)piperidin-1-yl]methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 119925708
2-[(4-imidazol-1-ylpiperidin-1-yl)methyl]-9-methylpyrido[1,2-a]pyrimidin-4-one
CID 75463124
7-[[(2S)-2-(4-fluorophenyl)pyrrolidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92830397

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one (CID 47055883) is 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCCC3c3ccsc3)nc12.
What is the InChIKey of 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is PKYBRLNTEBLDOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3OS/c1-13-4-2-8-21-17(22)10-15(19-18(13)21)11-20-7-3-5-16(20)14-6-9-23-12-14/h2,4,6,8-10,12,16H,3,5,7,11H2,1H3.
What are the key properties of 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 325.44 g/mol, XLogP of 3.40, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[(2-thiophen-3-ylpyrrolidin-1-yl)methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 47055883), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).