2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine

C17H23N7 — CID 95327979

IUPAC2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nc(C)n(C[C@H]2CCCN(Cc3nc4ncccc4[nH]3)C2)n1
InChIInChI=1S/C17H23N7/c1-12-19-13(2)24(22-12)10-14-5-4-8-23(9-14)11-16-20-15-6-3-7-18-17(15)21-16/h3,6-7,14H,4-5,8-11H2,1-2H3,(H,18,20,21)/t14-/m0/s1
InChIKeyVZFGRZOKRWNMOD-AWEZNQCLSA-N
MW325.42 g/mol
LogP2.08
Rot. Bonds4

About 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine

2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 95327979) has the molecular formula C17H23N7 and a molecular weight of 325.42 g/mol. Its IUPAC name is 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
PubChem CID95327979
Molecular FormulaC17H23N7
Molecular Weight325.42 g/mol
Exact Mass325.20
IUPAC Name2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine
SMILESCc1nc(C)n(C[C@H]2CCCN(Cc3nc4ncccc4[nH]3)C2)n1
InChIInChI=1S/C17H23N7/c1-12-19-13(2)24(22-12)10-14-5-4-8-23(9-14)11-16-20-15-6-3-7-18-17(15)21-16/h3,6-7,14H,4-5,8-11H2,1-2H3,(H,18,20,21)/t14-/m0/s1
InChIKeyVZFGRZOKRWNMOD-AWEZNQCLSA-N
XLogP2.08
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.42
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine (CID 95327979) is 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine is Cc1nc(C)n(C[C@H]2CCCN(Cc3nc4ncccc4[nH]3)C2)n1.
What is the InChIKey of 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is VZFGRZOKRWNMOD-AWEZNQCLSA-N. The full InChI is InChI=1S/C17H23N7/c1-12-19-13(2)24(22-12)10-14-5-4-8-23(9-14)11-16-20-15-6-3-7-18-17(15)21-16/h3,6-7,14H,4-5,8-11H2,1-2H3,(H,18,20,21)/t14-/m0/s1.
What are the key properties of 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine?
2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 325.42 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[(3S)-3-[(3,5-dimethyl-1,2,4-triazol-1-yl)methyl]piperidin-1-yl]methyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 95327979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).