N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

C20H19ClN6O — CID 46937778

IUPACN-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN6O/c1-26-16-7-6-13(21)11-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,28)
InChIKeyVQRPNBJOQTVLBJ-UHFFFAOYSA-N
MW394.87 g/mol
LogP3.12
Rot. Bonds5

About N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide

N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (PubChem CID 46937778) has the molecular formula C20H19ClN6O and a molecular weight of 394.87 g/mol. Its IUPAC name is N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
PubChem CID46937778
Molecular FormulaC20H19ClN6O
Molecular Weight394.87 g/mol
Exact Mass394.13
IUPAC NameN-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
SMILESCn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21
InChIInChI=1S/C20H19ClN6O/c1-26-16-7-6-13(21)11-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,28)
InChIKeyVQRPNBJOQTVLBJ-UHFFFAOYSA-N
XLogP3.12
TPSA77.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.87
LogP ≤ 53.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide 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 N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide (CID 46937778) is N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is Cn1c(CCNC(=O)c2cccn3c(C4CC4)nnc23)nc2cc(Cl)ccc21.
What is the InChIKey of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
The InChIKey is VQRPNBJOQTVLBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN6O/c1-26-16-7-6-13(21)11-15(16)23-17(26)8-9-22-20(28)14-3-2-10-27-18(12-4-5-12)24-25-19(14)27/h2-3,6-7,10-12H,4-5,8-9H2,1H3,(H,22,28).
What are the key properties of N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide?
N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide has a molecular weight of 394.87 g/mol, XLogP of 3.12, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(5-chloro-1-methylbenzimidazol-2-yl)ethyl]-3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide is sourced from PubChem (CID 46937778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).