9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C19H23N5O — CID 56780478

IUPAC9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnn(CC2CCCN2Cc2cc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C19H23N5O/c1-14-10-20-23(11-14)13-17-6-4-7-22(17)12-16-9-18(25)24-8-3-5-15(2)19(24)21-16/h3,5,8-11,17H,4,6-7,12-13H2,1-2H3
InChIKeyFQTHCKRRNNMRPZ-UHFFFAOYSA-N
MW337.43 g/mol
LogP2.17
Rot. Bonds4

About 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 56780478) has the molecular formula C19H23N5O and a molecular weight of 337.43 g/mol. Its IUPAC name is 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID56780478
Molecular FormulaC19H23N5O
Molecular Weight337.43 g/mol
Exact Mass337.19
IUPAC Name9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cnn(CC2CCCN2Cc2cc(=O)n3cccc(C)c3n2)c1
InChIInChI=1S/C19H23N5O/c1-14-10-20-23(11-14)13-17-6-4-7-22(17)12-16-9-18(25)24-8-3-5-15(2)19(24)21-16/h3,5,8-11,17H,4,6-7,12-13H2,1-2H3
InChIKeyFQTHCKRRNNMRPZ-UHFFFAOYSA-N
XLogP2.17
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.43
LogP ≤ 52.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-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

Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 56780478) is 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cnn(CC2CCCN2Cc2cc(=O)n3cccc(C)c3n2)c1.
What is the InChIKey of 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is FQTHCKRRNNMRPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O/c1-14-10-20-23(11-14)13-17-6-4-7-22(17)12-16-9-18(25)24-8-3-5-15(2)19(24)21-16/h3,5,8-11,17H,4,6-7,12-13H2,1-2H3.
What are the key properties of 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 337.43 g/mol, XLogP of 2.17, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[2-[(4-methylpyrazol-1-yl)methyl]pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 56780478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).