(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide

C20H23N5O — CID 125141087

IUPAC(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCn1ncc2c1C[C@H](C(=O)Nc1ccc3nc(C4CCC4)[nH]c3c1)CC2
InChIInChI=1S/C20H23N5O/c1-25-18-9-13(5-6-14(18)11-21-25)20(26)22-15-7-8-16-17(10-15)24-19(23-16)12-3-2-4-12/h7-8,10-13H,2-6,9H2,1H3,(H,22,26)(H,23,24)/t13-/m1/s1
InChIKeyYEPRXUODDKJXOG-CYBMUJFWSA-N
MW349.44 g/mol
LogP3.31
Rot. Bonds3

About (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide

(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide (PubChem CID 125141087) has the molecular formula C20H23N5O and a molecular weight of 349.44 g/mol. Its IUPAC name is (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide.

Molecular Properties

Compound Name(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
PubChem CID125141087
Molecular FormulaC20H23N5O
Molecular Weight349.44 g/mol
Exact Mass349.19
IUPAC Name(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide
SMILESCn1ncc2c1C[C@H](C(=O)Nc1ccc3nc(C4CCC4)[nH]c3c1)CC2
InChIInChI=1S/C20H23N5O/c1-25-18-9-13(5-6-14(18)11-21-25)20(26)22-15-7-8-16-17(10-15)24-19(23-16)12-3-2-4-12/h7-8,10-13H,2-6,9H2,1H3,(H,22,26)(H,23,24)/t13-/m1/s1
InChIKeyYEPRXUODDKJXOG-CYBMUJFWSA-N
XLogP3.31
TPSA75.60 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 53.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide with MolForge

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Related Compounds

N-(2-cyclobutyl-3H-benzimidazol-5-yl)piperidine-3-carboxamide
CID 119871952
(1R,4S)-4-[(2-cyclohexyl-3H-benzimidazol-5-yl)carbamoyl]cyclobut-2-ene-1-carboxylic acid
CID 167922413
N-(2-cyclobutyl-3H-benzimidazol-5-yl)furan-3-carboxamide
CID 52827537
N-(2-cyclopentyl-3H-benzimidazol-5-yl)butanamide
CID 110779431
3-amino-N-(2-cyclobutyl-3H-benzimidazol-5-yl)butanamide;dihydrochloride
CID 119872008
6-chloro-N-(2-cyclobutyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide
CID 60613227
N-(2-methyl-3H-benzimidazol-5-yl)cyclopropanecarboxamide
CID 53276569
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-3-carboxamide;hydrochloride
CID 110779436
N-(2-cyclobutyl-3H-benzimidazol-5-yl)-4-(2-oxopyrrolidin-1-yl)benzamide
CID 60613246
N-(2-cyclopentyl-3H-benzimidazol-5-yl)pyridine-2-carboxamide
CID 110793292
N-(2-cyclohexyl-3H-benzimidazol-5-yl)-1-([1,2,4]triazolo[4,3-b]pyridazin-6-yl)piperidine-4-carboxamide
CID 155949532
1-(2-cyclopentyl-3H-benzimidazol-5-yl)ethanone
CID 82494798

Frequently Asked Questions

What is the IUPAC name of (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The IUPAC name of (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide (CID 125141087) is (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide.
What is the SMILES notation for (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The canonical SMILES for (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide is Cn1ncc2c1C[C@H](C(=O)Nc1ccc3nc(C4CCC4)[nH]c3c1)CC2.
What is the InChIKey of (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide?
The InChIKey is YEPRXUODDKJXOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C20H23N5O/c1-25-18-9-13(5-6-14(18)11-21-25)20(26)22-15-7-8-16-17(10-15)24-19(23-16)12-3-2-4-12/h7-8,10-13H,2-6,9H2,1H3,(H,22,26)(H,23,24)/t13-/m1/s1.
What are the key properties of (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide?
(6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide has a molecular weight of 349.44 g/mol, XLogP of 3.31, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6R)-N-(2-cyclobutyl-3H-benzimidazol-5-yl)-1-methyl-4,5,6,7-tetrahydroindazole-6-carboxamide is sourced from PubChem (CID 125141087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).