1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

C16H19N7O — CID 129490249

IUPAC1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@@H]2CCCN(Cc3cnc4ccccn34)C2)n1
InChIInChI=1S/C16H19N7O/c17-15(24)16-19-11-23(20-16)12-4-3-6-21(9-12)10-13-8-18-14-5-1-2-7-22(13)14/h1-2,5,7-8,11-12H,3-4,6,9-10H2,(H2,17,24)/t12-/m1/s1
InChIKeyWVVYXZDKGSXCOP-GFCCVEGCSA-N
MW325.38 g/mol
LogP0.86
Rot. Bonds4

About 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide

1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (PubChem CID 129490249) has the molecular formula C16H19N7O and a molecular weight of 325.38 g/mol. Its IUPAC name is 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.

Molecular Properties

Compound Name1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
PubChem CID129490249
Molecular FormulaC16H19N7O
Molecular Weight325.38 g/mol
Exact Mass325.17
IUPAC Name1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
SMILESNC(=O)c1ncn([C@@H]2CCCN(Cc3cnc4ccccn34)C2)n1
InChIInChI=1S/C16H19N7O/c17-15(24)16-19-11-23(20-16)12-4-3-6-21(9-12)10-13-8-18-14-5-1-2-7-22(13)14/h1-2,5,7-8,11-12H,3-4,6,9-10H2,(H2,17,24)/t12-/m1/s1
InChIKeyWVVYXZDKGSXCOP-GFCCVEGCSA-N
XLogP0.86
TPSA94.34 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.38
LogP ≤ 50.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide with MolForge

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Related Compounds

1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-ol
CID 111461739
1-[(3R)-1-(1H-indazol-7-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488606
1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]ethanone
CID 90571718
1-[(3R)-1-(imidazo[1,2-a]pyrimidin-3-ylmethyl)piperidin-3-yl]-N-methylpyrazole-3-carboxamide
CID 129332274
3-cyclopentyl-1-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]propan-1-one
CID 90571732
3-[(4-cyclohexylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyridine
CID 90572032
[(3S,4S)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)-4-methylpyrrolidin-3-yl]-morpholin-4-ylmethanone
CID 128982979
1-[1-(1,3-benzoxazol-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 127957586
1-[(3R)-1-(6-ethoxypyrazin-2-yl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488779
1-[(3S)-1-(2-cyclopropylethylsulfonyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide
CID 129488769
2-[4-(imidazo[1,2-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 71929727
4-(imidazo[1,2-a]pyridin-3-ylmethyl)-N,N-dimethylpiperazine-1-sulfonamide
CID 90571984

Frequently Asked Questions

What is the IUPAC name of 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The IUPAC name of 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide (CID 129490249) is 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide.
What is the SMILES notation for 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The canonical SMILES for 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is NC(=O)c1ncn([C@@H]2CCCN(Cc3cnc4ccccn34)C2)n1.
What is the InChIKey of 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
The InChIKey is WVVYXZDKGSXCOP-GFCCVEGCSA-N. The full InChI is InChI=1S/C16H19N7O/c17-15(24)16-19-11-23(20-16)12-4-3-6-21(9-12)10-13-8-18-14-5-1-2-7-22(13)14/h1-2,5,7-8,11-12H,3-4,6,9-10H2,(H2,17,24)/t12-/m1/s1.
What are the key properties of 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide?
1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide has a molecular weight of 325.38 g/mol, XLogP of 0.86, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3R)-1-(imidazo[1,2-a]pyridin-3-ylmethyl)piperidin-3-yl]-1,2,4-triazole-3-carboxamide is sourced from PubChem (CID 129490249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).