5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine

C31H29N7 — CID 11260535

IUPAC5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4n[nH]nc4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H29N7/c1-21-32-27-9-5-6-10-29(27)38(21)25-15-17-37(18-16-25)20-22-11-13-24(14-12-22)30-26(23-7-3-2-4-8-23)19-28-31(33-30)35-36-34-28/h2-14,19,25H,15-18,20H2,1H3,(H,33,34,35,36)
InChIKeyULXDTDVFKRMXTL-UHFFFAOYSA-N
MW499.62 g/mol
LogP6.18
Rot. Bonds5

About 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine

5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine (PubChem CID 11260535) has the molecular formula C31H29N7 and a molecular weight of 499.62 g/mol. Its IUPAC name is 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine.

Molecular Properties

Compound Name5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
PubChem CID11260535
Molecular FormulaC31H29N7
Molecular Weight499.62 g/mol
Exact Mass499.25
IUPAC Name5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine
SMILESCc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4n[nH]nc4cc3-c3ccccc3)cc2)CC1
InChIInChI=1S/C31H29N7/c1-21-32-27-9-5-6-10-29(27)38(21)25-15-17-37(18-16-25)20-22-11-13-24(14-12-22)30-26(23-7-3-2-4-8-23)19-28-31(33-30)35-36-34-28/h2-14,19,25H,15-18,20H2,1H3,(H,33,34,35,36)
InChIKeyULXDTDVFKRMXTL-UHFFFAOYSA-N
XLogP6.18
TPSA75.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.62
LogP ≤ 56.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
The IUPAC name of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine (CID 11260535) is 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine.
What is the SMILES notation for 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
The canonical SMILES for 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine is Cc1nc2ccccc2n1C1CCN(Cc2ccc(-c3nc4n[nH]nc4cc3-c3ccccc3)cc2)CC1.
What is the InChIKey of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
The InChIKey is ULXDTDVFKRMXTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H29N7/c1-21-32-27-9-5-6-10-29(27)38(21)25-15-17-37(18-16-25)20-22-11-13-24(14-12-22)30-26(23-7-3-2-4-8-23)19-28-31(33-30)35-36-34-28/h2-14,19,25H,15-18,20H2,1H3,(H,33,34,35,36).
What are the key properties of 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine?
5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine has a molecular weight of 499.62 g/mol, XLogP of 6.18, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[[4-(2-methylbenzimidazol-1-yl)piperidin-1-yl]methyl]phenyl]-6-phenyl-2H-triazolo[4,5-b]pyridine is sourced from PubChem (CID 11260535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).