1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

C17H24N6O — CID 124917961

IUPAC1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCC[C@H](c2ncc3n2CCCC3)C1
InChIInChI=1S/C17H24N6O/c24-16(6-9-22-13-18-12-20-22)21-7-3-4-14(11-21)17-19-10-15-5-1-2-8-23(15)17/h10,12-14H,1-9,11H2/t14-/m0/s1
InChIKeyISYJQJAQHRNXSH-AWEZNQCLSA-N
MW328.42 g/mol
LogP1.61
Rot. Bonds4

About 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one

1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (PubChem CID 124917961) has the molecular formula C17H24N6O and a molecular weight of 328.42 g/mol. Its IUPAC name is 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.

Molecular Properties

Compound Name1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
PubChem CID124917961
Molecular FormulaC17H24N6O
Molecular Weight328.42 g/mol
Exact Mass328.20
IUPAC Name1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
SMILESO=C(CCn1cncn1)N1CCC[C@H](c2ncc3n2CCCC3)C1
InChIInChI=1S/C17H24N6O/c24-16(6-9-22-13-18-12-20-22)21-7-3-4-14(11-21)17-19-10-15-5-1-2-8-23(15)17/h10,12-14H,1-9,11H2/t14-/m0/s1
InChIKeyISYJQJAQHRNXSH-AWEZNQCLSA-N
XLogP1.61
TPSA68.84 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.42
LogP ≤ 51.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one with MolForge

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Related Compounds

2-cyclopropyl-1-[2-(1,2,4-triazol-1-ylmethyl)-6,8-dihydro-5H-imidazo[1,2-a]pyrazin-7-yl]ethanone
CID 97390309
4-(fluoromethyl)-1-[1-({5H,6H,7H,8H-imidazo[1,5-a]pyridin-3-yl}methyl)piperidin-4-yl]pyrrolidin-2-one
CID 126899861
[4-[[1-(Difluoromethyl)imidazol-2-yl]methyl]piperazin-1-yl]-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)methanone
CID 127638387
1-[3-[1-Methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 128980185
1-[(3R)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 129345961
1-[(3S)-3-[1-methyl-4-(trifluoromethyl)imidazol-2-yl]piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one
CID 129345962
N-methyl-N-[[1-(2,2,2-trifluoroethyl)imidazol-2-yl]methyl]-5,6,7,8-tetrahydroimidazo[1,5-a]pyridine-6-carboxamide
CID 154762860
2,4-Bis(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
CID 141139638
2,4-Bis(8-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)pentan-3-one
CID 141139650
4-[(4-cyclohexyl-1H-1,2,3-triazol-1-yl)methyl]-1-[(1-methyl-1H-imidazol-2-yl)carbonyl]piperidine trifluoroacetate
CID 29255005
4-(4-cyclopentyl-1H-1,2,3-triazol-1-yl)-1-[(2-methyl-1H-imidazol-1-yl)acetyl]piperidine trifluoroacetate
CID 30881387
1-[3-[(4-Cyclohexyltriazol-1-yl)methyl]piperidin-1-yl]-2-(1,2,4-triazol-1-yl)ethanone
CID 46991323

Frequently Asked Questions

What is the IUPAC name of 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The IUPAC name of 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one (CID 124917961) is 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one.
What is the SMILES notation for 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The canonical SMILES for 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is O=C(CCn1cncn1)N1CCC[C@H](c2ncc3n2CCCC3)C1.
What is the InChIKey of 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
The InChIKey is ISYJQJAQHRNXSH-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H24N6O/c24-16(6-9-22-13-18-12-20-22)21-7-3-4-14(11-21)17-19-10-15-5-1-2-8-23(15)17/h10,12-14H,1-9,11H2/t14-/m0/s1.
What are the key properties of 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one?
1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one has a molecular weight of 328.42 g/mol, XLogP of 1.61, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S)-3-(5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-3-yl)piperidin-1-yl]-3-(1,2,4-triazol-1-yl)propan-1-one is sourced from PubChem (CID 124917961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).