5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

C19H22ClN5O2 — CID 155871066

IUPAC5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2
InChIInChI=1S/C19H22ClN5O2/c20-17-8-3-7-15(23-17)19(27)24-9-4-10-25-16(12-24)14(11-21-25)18(26)22-13-5-1-2-6-13/h3,7-8,11,13H,1-2,4-6,9-10,12H2,(H,22,26)
InChIKeyLKEUIIDOCXUFKS-UHFFFAOYSA-N
MW387.87 g/mol
LogP2.65
Rot. Bonds3

About 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide

5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (PubChem CID 155871066) has the molecular formula C19H22ClN5O2 and a molecular weight of 387.87 g/mol. Its IUPAC name is 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.

Molecular Properties

Compound Name5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
PubChem CID155871066
Molecular FormulaC19H22ClN5O2
Molecular Weight387.87 g/mol
Exact Mass387.15
IUPAC Name5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
SMILESO=C(NC1CCCC1)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2
InChIInChI=1S/C19H22ClN5O2/c20-17-8-3-7-15(23-17)19(27)24-9-4-10-25-16(12-24)14(11-21-25)18(26)22-13-5-1-2-6-13/h3,7-8,11,13H,1-2,4-6,9-10,12H2,(H,22,26)
InChIKeyLKEUIIDOCXUFKS-UHFFFAOYSA-N
XLogP2.65
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.87
LogP ≤ 52.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-cyclopentyl-6-(pyrrolidine-1-carbonyl)pyridine-2-carboxamide
CID 109094755
6-chloro-N-cyclobutylpyridine-2-carboxamide
CID 62416543
N-cyclopentyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109094934
N-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetamide
CID 62234754
N-cyclopropyl-6-(piperidine-1-carbonyl)pyridine-2-carboxamide
CID 109093812
(6-chloro-2-pyridinyl)-[4-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 62234566
2-[1-(6-chloropyridine-2-carbonyl)piperidin-3-yl]acetic acid
CID 62690770
5-(6-chloroimidazo[1,2-a]pyridine-2-carbonyl)-N-(4-methoxyphenyl)-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide
CID 131697421
N-cyclohexyl-4-(6-methylpyridine-2-carbonyl)-1,4-diazepane-1-carboxamide
CID 138378584
6-chloro-N-(4-ethylcyclohexyl)pyridine-2-carboxamide
CID 62232953
2-N-cycloheptyl-6-N-cyclohexylpyridine-2,6-dicarboxamide
CID 109095319
N-[1-[2-(3-chlorophenyl)-2-methoxyacetyl]piperidin-3-yl]-4,5,6,7-tetrahydropyrazolo[1,5-a]pyridine-3-carboxamide
CID 167768018

Frequently Asked Questions

What is the IUPAC name of 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The IUPAC name of 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide (CID 155871066) is 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide.
What is the SMILES notation for 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The canonical SMILES for 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is O=C(NC1CCCC1)c1cnn2c1CN(C(=O)c1cccc(Cl)n1)CCC2.
What is the InChIKey of 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
The InChIKey is LKEUIIDOCXUFKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClN5O2/c20-17-8-3-7-15(23-17)19(27)24-9-4-10-25-16(12-24)14(11-21-25)18(26)22-13-5-1-2-6-13/h3,7-8,11,13H,1-2,4-6,9-10,12H2,(H,22,26).
What are the key properties of 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide?
5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide has a molecular weight of 387.87 g/mol, XLogP of 2.65, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6-chloropyridine-2-carbonyl)-N-cyclopentyl-4,6,7,8-tetrahydropyrazolo[1,5-a][1,4]diazepine-3-carboxamide is sourced from PubChem (CID 155871066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).