N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

C19H17BrN6O — CID 46937608

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)cn2nc(C3CC3)nc12
InChIInChI=1S/C19H17BrN6O/c20-12-9-13(18-24-17(11-5-6-11)25-26(18)10-12)19(27)21-8-7-16-22-14-3-1-2-4-15(14)23-16/h1-4,9-11H,5-8H2,(H,21,27)(H,22,23)
InChIKeyXUXVLVPJLSBZEW-UHFFFAOYSA-N
MW425.29 g/mol
LogP3.22
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (PubChem CID 46937608) has the molecular formula C19H17BrN6O and a molecular weight of 425.29 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
PubChem CID46937608
Molecular FormulaC19H17BrN6O
Molecular Weight425.29 g/mol
Exact Mass424.06
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide
SMILESO=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)cn2nc(C3CC3)nc12
InChIInChI=1S/C19H17BrN6O/c20-12-9-13(18-24-17(11-5-6-11)25-26(18)10-12)19(27)21-8-7-16-22-14-3-1-2-4-15(14)23-16/h1-4,9-11H,5-8H2,(H,21,27)(H,22,23)
InChIKeyXUXVLVPJLSBZEW-UHFFFAOYSA-N
XLogP3.22
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.29
LogP ≤ 53.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide (CID 46937608) is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is O=C(NCCc1nc2ccccc2[nH]1)c1cc(Br)cn2nc(C3CC3)nc12.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
The InChIKey is XUXVLVPJLSBZEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN6O/c20-12-9-13(18-24-17(11-5-6-11)25-26(18)10-12)19(27)21-8-7-16-22-14-3-1-2-4-15(14)23-16/h1-4,9-11H,5-8H2,(H,21,27)(H,22,23).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide?
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide has a molecular weight of 425.29 g/mol, XLogP of 3.22, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-bromo-2-cyclopropyl-[1,2,4]triazolo[1,5-a]pyridine-8-carboxamide is sourced from PubChem (CID 46937608), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).