6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

C18H22N6O — CID 97326134

IUPAC6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCC[C@H](Cn4ccnn4)C3)cc(=O)n12
InChIInChI=1S/C18H22N6O/c1-14-4-2-6-17-20-16(10-18(25)24(14)17)13-22-8-3-5-15(11-22)12-23-9-7-19-21-23/h2,4,6-7,9-10,15H,3,5,8,11-13H2,1H3/t15-/m0/s1
InChIKeyQTSMFXQSIBKWQQ-HNNXBMFYSA-N
MW338.42 g/mol
LogP1.51
Rot. Bonds4

About 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one

6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (PubChem CID 97326134) has the molecular formula C18H22N6O and a molecular weight of 338.42 g/mol. Its IUPAC name is 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.

Molecular Properties

Compound Name6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
PubChem CID97326134
Molecular FormulaC18H22N6O
Molecular Weight338.42 g/mol
Exact Mass338.19
IUPAC Name6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
SMILESCc1cccc2nc(CN3CCC[C@H](Cn4ccnn4)C3)cc(=O)n12
InChIInChI=1S/C18H22N6O/c1-14-4-2-6-17-20-16(10-18(25)24(14)17)13-22-8-3-5-15(11-22)12-23-9-7-19-21-23/h2,4,6-7,9-10,15H,3,5,8,11-13H2,1H3/t15-/m0/s1
InChIKeyQTSMFXQSIBKWQQ-HNNXBMFYSA-N
XLogP1.51
TPSA68.32 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.42
LogP ≤ 51.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one with MolForge

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Related Compounds

6-methyl-2-(piperidin-1-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 47008628
1,1-dimethyl-3-[1-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]piperidin-3-yl]urea
CID 167829459
2-[[(3R)-3-(1,2,4-triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 95314246
6-methyl-2-[[4-[[3-(trifluoromethyl)phenyl]methyl]piperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 8720923
6-methyl-2-(1-thia-4-azaspiro[5.5]undecan-4-ylmethyl)pyrido[1,2-a]pyrimidin-4-one
CID 100640353
7-[[(3R)-3-ethylpiperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 92854225
11-[(6-methyl-4-oxopyrido[1,2-a]pyrimidin-2-yl)methyl]-7,11-diazatricyclo[7.3.1.02,7]trideca-2,4-dien-6-one
CID 163087170
6-methyl-2-[[4-(4-methylphenyl)sulfonylpiperazin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one
CID 9254526
7-[[3-(hydroxymethyl)piperidin-1-yl]methyl]-3-methyl-[1,3]thiazolo[3,2-a]pyrimidin-5-one
CID 60638725
2-[[(3R)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-5-methylimidazo[1,2-a]pyridine
CID 95345632
2-[[(2R)-2-(1,3-benzothiazol-2-yl)pyrrolidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 8709358
2-[[(3S,4R)-4-hydroxy-3-(hydroxymethyl)-3-propylpiperidin-1-yl]methyl]-6-methylpyrido[1,2-a]pyrimidin-4-one
CID 155497522

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The IUPAC name of 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one (CID 97326134) is 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one.
What is the SMILES notation for 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The canonical SMILES for 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is Cc1cccc2nc(CN3CCC[C@H](Cn4ccnn4)C3)cc(=O)n12.
What is the InChIKey of 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
The InChIKey is QTSMFXQSIBKWQQ-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H22N6O/c1-14-4-2-6-17-20-16(10-18(25)24(14)17)13-22-8-3-5-15(11-22)12-23-9-7-19-21-23/h2,4,6-7,9-10,15H,3,5,8,11-13H2,1H3/t15-/m0/s1.
What are the key properties of 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one?
6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one has a molecular weight of 338.42 g/mol, XLogP of 1.51, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-[[(3S)-3-(triazol-1-ylmethyl)piperidin-1-yl]methyl]pyrido[1,2-a]pyrimidin-4-one is sourced from PubChem (CID 97326134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).