2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H21N5O — CID 51104318

IUPAC2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1nccc1C1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C18H21N5O/c1-21-16(5-8-19-21)14-6-10-22(11-7-14)13-15-12-18(24)23-9-3-2-4-17(23)20-15/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyLHFQVZOZWQHINA-UHFFFAOYSA-N
MW323.40 g/mol
LogP1.81
Rot. Bonds3

About 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51104318) has the molecular formula C18H21N5O and a molecular weight of 323.40 g/mol. Its IUPAC name is 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51104318
Molecular FormulaC18H21N5O
Molecular Weight323.40 g/mol
Exact Mass323.17
IUPAC Name2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCn1nccc1C1CCN(Cc2cc(=O)n3ccccc3n2)CC1
InChIInChI=1S/C18H21N5O/c1-21-16(5-8-19-21)14-6-10-22(11-7-14)13-15-12-18(24)23-9-3-2-4-17(23)20-15/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3
InChIKeyLHFQVZOZWQHINA-UHFFFAOYSA-N
XLogP1.81
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 ≤ 51.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

US10098883, Example 86
CID 137528625
5,6-dimethyl-3-[2-[(3S)-3-(1-methylpyrazol-3-yl)piperidin-1-yl]-2-oxoethyl]pyrimidin-4-one
CID 129524190
[(1S)-cyclohex-3-en-1-yl]-[4-(1-methylpyrazol-3-yl)piperidin-1-yl]methanone
CID 129524432
N-(1-methyl-6-oxopyridazin-3-yl)-4-(1-methylpyrazol-3-yl)piperidine-1-carboxamide
CID 138025522
2-[[3-(1,1-difluoroethyl)-5-methylpyrazol-1-yl]methyl]-6-[(2S)-pentan-2-yl]pyrido[1,2-a]pyrimidin-4-one
CID 134493100
3-({1-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943651
6-(difluoromethyl)-3-({1-[2-(1-methyl-1H-pyrazol-5-yl)ethyl]piperidin-4-yl}methyl)-3,4-dihydropyrimidin-4-one
CID 126944070
6-Cyclohexyl-3-[[2-(2,2,2-trifluoroethyl)pyrazol-3-yl]methyl]pyrimidin-4-one
CID 167989257
cyclohex-3-en-1-yl(4-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)methanone
CID 119103534
1-methyl-3-(4-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)pyrazin-2(1H)-one
CID 121020704
2-methyl-6-(3-(1-methyl-1H-pyrazol-3-yl)piperidine-1-carbonyl)pyridazin-3(2H)-one
CID 121021027
5,6-dimethyl-3-(2-(3-(1-methyl-1H-pyrazol-3-yl)piperidin-1-yl)-2-oxoethyl)pyrimidin-4(3H)-one
CID 121021046

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51104318) is 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cn1nccc1C1CCN(Cc2cc(=O)n3ccccc3n2)CC1.
What is the InChIKey of 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is LHFQVZOZWQHINA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O/c1-21-16(5-8-19-21)14-6-10-22(11-7-14)13-15-12-18(24)23-9-3-2-4-17(23)20-15/h2-5,8-9,12,14H,6-7,10-11,13H2,1H3.
What are the key properties of 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 323.40 g/mol, XLogP of 1.81, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51104318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).