2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one

C22H24N6O — CID 95559144

IUPAC2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCc1ccc2nc(Cn3nc([C@H]4CCCNC4)n(-c4ccccc4)c3=O)cn2c1
InChIInChI=1S/C22H24N6O/c1-16-9-10-20-24-18(14-26(20)13-16)15-27-22(29)28(19-7-3-2-4-8-19)21(25-27)17-6-5-11-23-12-17/h2-4,7-10,13-14,17,23H,5-6,11-12,15H2,1H3/t17-/m0/s1
InChIKeyDQQSBADTOHSUOK-KRWDZBQOSA-N
MW388.48 g/mol
LogP2.51
Rot. Bonds4

About 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one

2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one (PubChem CID 95559144) has the molecular formula C22H24N6O and a molecular weight of 388.48 g/mol. Its IUPAC name is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one.

Molecular Properties

Compound Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
PubChem CID95559144
Molecular FormulaC22H24N6O
Molecular Weight388.48 g/mol
Exact Mass388.20
IUPAC Name2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
SMILESCc1ccc2nc(Cn3nc([C@H]4CCCNC4)n(-c4ccccc4)c3=O)cn2c1
InChIInChI=1S/C22H24N6O/c1-16-9-10-20-24-18(14-26(20)13-16)15-27-22(29)28(19-7-3-2-4-8-19)21(25-27)17-6-5-11-23-12-17/h2-4,7-10,13-14,17,23H,5-6,11-12,15H2,1H3/t17-/m0/s1
InChIKeyDQQSBADTOHSUOK-KRWDZBQOSA-N
XLogP2.51
TPSA69.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.48
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-[(3-methylphenyl)methyl]-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
CID 154885697
2-[(2-fluoro-5-methylphenyl)methyl]-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one;hydrochloride
CID 154892402
2-(naphthalen-1-ylmethyl)-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one
CID 56871829
4-phenyl-5-piperidin-3-yl-2-(pyrimidin-2-ylmethyl)-1,2,4-triazol-3-one
CID 56701034
2-[(4-fluorophenyl)methyl]-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one
CID 56867287
2-[(3-fluorophenyl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95558060
2-[(3-ethylimidazol-4-yl)methyl]-4-phenyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95525110
2-[(3,4-difluorophenyl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95558845
2-[(2,5-difluorophenyl)methyl]-4-phenyl-5-piperidin-3-yl-1,2,4-triazol-3-one
CID 56875766
N,N-dimethyl-5-[[5-oxo-4-phenyl-3-[(3R)-piperidin-3-yl]-1,2,4-triazol-1-yl]methyl]furan-2-carboxamide
CID 95709625
2-(2-phenoxyethyl)-4-phenyl-5-[(3R)-piperidin-3-yl]-1,2,4-triazol-3-one
CID 95555587
2-[(2-ethyl-1,3-thiazol-4-yl)methyl]-4-phenyl-5-piperidin-4-yl-1,2,4-triazol-3-one
CID 56712803

Frequently Asked Questions

What is the IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one?
The IUPAC name of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one (CID 95559144) is 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one.
What is the SMILES notation for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one?
The canonical SMILES for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one is Cc1ccc2nc(Cn3nc([C@H]4CCCNC4)n(-c4ccccc4)c3=O)cn2c1.
What is the InChIKey of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one?
The InChIKey is DQQSBADTOHSUOK-KRWDZBQOSA-N. The full InChI is InChI=1S/C22H24N6O/c1-16-9-10-20-24-18(14-26(20)13-16)15-27-22(29)28(19-7-3-2-4-8-19)21(25-27)17-6-5-11-23-12-17/h2-4,7-10,13-14,17,23H,5-6,11-12,15H2,1H3/t17-/m0/s1.
What are the key properties of 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one?
2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one has a molecular weight of 388.48 g/mol, XLogP of 2.51, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-4-phenyl-5-[(3S)-piperidin-3-yl]-1,2,4-triazol-3-one is sourced from PubChem (CID 95559144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).