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

C18H21N5O — CID 51104484

IUPAC7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n2c1
InChIInChI=1S/C18H21N5O/c1-13-2-3-17-20-15(10-18(24)23(17)11-13)12-22-8-5-14(6-9-22)16-4-7-19-21-16/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21)
InChIKeyBBHVJTSCEDAWMH-UHFFFAOYSA-N
MW323.40 g/mol
LogP2.11
Rot. Bonds3

About 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51104484) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51104484
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1ccc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n2c1
InChIInChI=1S/C18H21N5O/c1-13-2-3-17-20-15(10-18(24)23(17)11-13)12-22-8-5-14(6-9-22)16-4-7-19-21-16/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21)
InChIKeyBBHVJTSCEDAWMH-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 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51104484) is 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1ccc2nc(CN3CCC(c4ccn[nH]4)CC3)cc(=O)n2c1.
What is the InChIKey of 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is BBHVJTSCEDAWMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-13-2-3-17-20-15(10-18(24)23(17)11-13)12-22-8-5-14(6-9-22)16-4-7-19-21-16/h2-4,7,10-11,14H,5-6,8-9,12H2,1H3,(H,19,21).
What are the key properties of 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-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 7-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51104484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).