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

C17H18ClN5O — CID 51104435

IUPAC7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCC(c3ccn[nH]3)CC2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H18ClN5O/c18-13-1-2-16-20-14(9-17(24)23(16)10-13)11-22-7-4-12(5-8-22)15-3-6-19-21-15/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,19,21)
InChIKeyUZECVTWWEBHKOG-UHFFFAOYSA-N
MW343.82 g/mol
LogP2.45
Rot. Bonds3

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

7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 51104435) has the molecular formula C17H18ClN5O and a molecular weight of 343.82 g/mol. Its IUPAC name is 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID51104435
Molecular FormulaC17H18ClN5O
Molecular Weight343.82 g/mol
Exact Mass343.12
IUPAC Name7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESO=c1cc(CN2CCC(c3ccn[nH]3)CC2)nc2ccc(Cl)cn12
InChIInChI=1S/C17H18ClN5O/c18-13-1-2-16-20-14(9-17(24)23(16)10-13)11-22-7-4-12(5-8-22)15-3-6-19-21-15/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,19,21)
InChIKeyUZECVTWWEBHKOG-UHFFFAOYSA-N
XLogP2.45
TPSA66.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.82
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

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Related Compounds

2-methyl-5-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
CID 129609183
2-methyl-4-[(3S)-3-(1H-pyrazol-5-yl)piperidin-1-yl]-1H-pyrimidin-6-one
CID 164635915
1-ethyl-3-[(3S)-3-(1H-pyrazol-5-yl)pyrrolidin-1-yl]pyrazin-2-one
CID 177660105
3-({1-[(3-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)-6-(trifluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126943653
3-({1-[(3-cyclopropyl-1H-pyrazol-4-yl)methyl]piperidin-4-yl}methyl)-6-(difluoromethyl)-3,4-dihydropyrimidin-4-one
CID 126944072
2-(3-propanimidoyl-1H-pyrazol-5-yl)-7-(4-propylpiperazin-1-yl)pyrido[1,2-a]pyrimidin-4-one
CID 163855698
2-[[4-(2-Methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104318
7-Methyl-2-[[4-(2-methylpyrazol-3-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104341
1,3-dimethyl-6-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrimidine-2,4-dione
CID 51104402
2-ethyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3,4]thiadiazolo[3,2-a]pyrimidin-5-one
CID 51104418
9-methyl-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 51104462
3-methyl-7-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 51104475

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 51104435) is 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is O=c1cc(CN2CCC(c3ccn[nH]3)CC2)nc2ccc(Cl)cn12.
What is the InChIKey of 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is UZECVTWWEBHKOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN5O/c18-13-1-2-16-20-14(9-17(24)23(16)10-13)11-22-7-4-12(5-8-22)15-3-6-19-21-15/h1-3,6,9-10,12H,4-5,7-8,11H2,(H,19,21).
What are the key properties of 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 343.82 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[[4-(1H-pyrazol-5-yl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 51104435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).