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

C18H21N5O — CID 95570789

IUPAC9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC[C@@H]3c3cnn(C)c3)nc12
InChIInChI=1S/C18H21N5O/c1-13-5-3-8-23-17(24)9-15(20-18(13)23)12-22-7-4-6-16(22)14-10-19-21(2)11-14/h3,5,8-11,16H,4,6-7,12H2,1-2H3/t16-/m1/s1
InChIKeyRMTLPIZOEAFYQO-MRXNPFEDSA-N
MW323.40 g/mol
LogP2.07
Rot. Bonds3

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

9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 95570789) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID95570789
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC[C@@H]3c3cnn(C)c3)nc12
InChIInChI=1S/C18H21N5O/c1-13-5-3-8-23-17(24)9-15(20-18(13)23)12-22-7-4-6-16(22)14-10-19-21(2)11-14/h3,5,8-11,16H,4,6-7,12H2,1-2H3/t16-/m1/s1
InChIKeyRMTLPIZOEAFYQO-MRXNPFEDSA-N
XLogP2.07
TPSA55.43 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 95570789) is 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCC[C@@H]3c3cnn(C)c3)nc12.
What is the InChIKey of 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is RMTLPIZOEAFYQO-MRXNPFEDSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-5-3-8-23-17(24)9-15(20-18(13)23)12-22-7-4-6-16(22)14-10-19-21(2)11-14/h3,5,8-11,16H,4,6-7,12H2,1-2H3/t16-/m1/s1.
What are the key properties of 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[(2R)-2-(1-methylpyrazol-4-yl)pyrrolidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 95570789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).