1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one

C22H23N5O — CID 90831433

IUPAC1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one
SMILESCc1ccc2nc(CCCCC(=O)c3cccn4c(C5CC5)nnc34)[nH]c2c1
InChIInChI=1S/C22H23N5O/c1-14-8-11-17-18(13-14)24-20(23-17)7-3-2-6-19(28)16-5-4-12-27-21(15-9-10-15)25-26-22(16)27/h4-5,8,11-13,15H,2-3,6-7,9-10H2,1H3,(H,23,24)
InChIKeyAZOGUCLUIUSDFL-UHFFFAOYSA-N
MW373.46 g/mol
LogP4.39
Rot. Bonds7

About 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one

1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one (PubChem CID 90831433) has the molecular formula C22H23N5O and a molecular weight of 373.46 g/mol. Its IUPAC name is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one.

Molecular Properties

Compound Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one
PubChem CID90831433
Molecular FormulaC22H23N5O
Molecular Weight373.46 g/mol
Exact Mass373.19
IUPAC Name1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one
SMILESCc1ccc2nc(CCCCC(=O)c3cccn4c(C5CC5)nnc34)[nH]c2c1
InChIInChI=1S/C22H23N5O/c1-14-8-11-17-18(13-14)24-20(23-17)7-3-2-6-19(28)16-5-4-12-27-21(15-9-10-15)25-26-22(16)27/h4-5,8,11-13,15H,2-3,6-7,9-10H2,1H3,(H,23,24)
InChIKeyAZOGUCLUIUSDFL-UHFFFAOYSA-N
XLogP4.39
TPSA75.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.46
LogP ≤ 54.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-ethyl-N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]-3-propyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxamide
CID 58074753
3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylic acid
CID 58074688
1-(azepan-1-yl)-3-(6-methyl-1H-benzimidazol-2-yl)propan-1-one
CID 6501370
6-methyl-2-(6-phenylhexyl)-1H-benzimidazole
CID 139625761
4-(1H-benzimidazol-2-yl)-1-[4-(2,4-dimethylbenzoyl)piperidin-1-yl]butan-1-one
CID 46410513
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclopentanamine
CID 82336914
methyl 3-(1-ethylpiperidin-4-yl)-[1,2,4]triazolo[4,3-a]pyridine-8-carboxylate
CID 117147420
N-(3-chloro-2-methylphenyl)-3-(6-methyl-1H-benzimidazol-2-yl)propanamide
CID 7450193
N-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]cyclooctanamine
CID 82336932
3-[2-(6-methyl-1H-benzimidazol-2-yl)ethylsulfonyl]propanoic acid
CID 82337233
1-[4-[(6-methyl-1H-benzimidazol-2-yl)methyl]cyclohexyl]ethanone;vanadium
CID 158055822
N-[4-[2-(6-methyl-1H-benzimidazol-2-yl)ethyl]phenyl]cyclohexanecarboxamide
CID 46290730

Frequently Asked Questions

What is the IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one?
The IUPAC name of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one (CID 90831433) is 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one.
What is the SMILES notation for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one?
The canonical SMILES for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one is Cc1ccc2nc(CCCCC(=O)c3cccn4c(C5CC5)nnc34)[nH]c2c1.
What is the InChIKey of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one?
The InChIKey is AZOGUCLUIUSDFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N5O/c1-14-8-11-17-18(13-14)24-20(23-17)7-3-2-6-19(28)16-5-4-12-27-21(15-9-10-15)25-26-22(16)27/h4-5,8,11-13,15H,2-3,6-7,9-10H2,1H3,(H,23,24).
What are the key properties of 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one?
1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one has a molecular weight of 373.46 g/mol, XLogP of 4.39, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-cyclopropyl-[1,2,4]triazolo[4,3-a]pyridin-8-yl)-5-(6-methyl-1H-benzimidazol-2-yl)pentan-1-one is sourced from PubChem (CID 90831433), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).