9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H21N5O — CID 51104462

IUPAC9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC(c4ccn[nH]4)CC3)nc12
InChIInChI=1S/C18H21N5O/c1-13-3-2-8-23-17(24)11-15(20-18(13)23)12-22-9-5-14(6-10-22)16-4-7-19-21-16/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,19,21)
InChIKeyWCMWWSUJLDBVAO-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.11
Rot. Bonds3

About 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51104462) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51104462
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccn2c(=O)cc(CN3CCC(c4ccn[nH]4)CC3)nc12
InChIInChI=1S/C18H21N5O/c1-13-3-2-8-23-17(24)11-15(20-18(13)23)12-22-9-5-14(6-10-22)16-4-7-19-21-16/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,19,21)
InChIKeyWCMWWSUJLDBVAO-UHFFFAOYSA-N
XLogP2.11
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500323.40
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51104462) is 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccn2c(=O)cc(CN3CCC(c4ccn[nH]4)CC3)nc12.
What is the InChIKey of 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is WCMWWSUJLDBVAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-3-2-8-23-17(24)11-15(20-18(13)23)12-22-9-5-14(6-10-22)16-4-7-19-21-16/h2-4,7-8,11,14H,5-6,9-10,12H2,1H3,(H,19,21).
What are the key properties of 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 2.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51104462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).