N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide

C20H20N6O — CID 175645409

IUPACN-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1CCC(n2cccc3ccnc2-3)CC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C20H20N6O/c27-20(14-3-8-17-18(12-14)24-25-23-17)22-15-4-6-16(7-5-15)26-11-1-2-13-9-10-21-19(13)26/h1-3,8-12,15-16H,4-7H2,(H,22,27)(H,23,24,25)
InChIKeyNKZIATZPCOHEST-UHFFFAOYSA-N
MW360.42 g/mol
LogP3.17
Rot. Bonds3

About N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide

N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide (PubChem CID 175645409) has the molecular formula C20H20N6O and a molecular weight of 360.42 g/mol. Its IUPAC name is N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide
PubChem CID175645409
Molecular FormulaC20H20N6O
Molecular Weight360.42 g/mol
Exact Mass360.17
IUPAC NameN-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide
SMILESO=C(NC1CCC(n2cccc3ccnc2-3)CC1)c1ccc2n[nH]nc2c1
InChIInChI=1S/C20H20N6O/c27-20(14-3-8-17-18(12-14)24-25-23-17)22-15-4-6-16(7-5-15)26-11-1-2-13-9-10-21-19(13)26/h1-3,8-12,15-16H,4-7H2,(H,22,27)(H,23,24,25)
InChIKeyNKZIATZPCOHEST-UHFFFAOYSA-N
XLogP3.17
TPSA88.49 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.42
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dimethyl-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)quinoxaline-6-carboxamide
CID 176502051
2-(2H-indazol-3-yl)-N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)acetamide
CID 176503598
N-(6-oxopiperidin-3-yl)-2H-benzotriazole-5-carboxamide
CID 62489932
N-[(3-cyclopropylimidazol-4-yl)methyl]-2H-benzotriazole-5-carboxamide
CID 91773775
6-[3-(cyclopropylcarbamoyl)phenyl]pyridine-3-carboxylic acid
CID 53224277
N-cyclopropyl-2-[3-(hydroxymethyl)phenyl]pyridine-4-carboxamide
CID 121497473
N-cyclopropyl-1-methylbenzimidazole-5-carboxamide
CID 95967858
1-methyl-N-(4-piperazin-1-ylcyclohexyl)benzimidazole-5-carboxamide
CID 128877935
(1S,5R)-6-(2H-benzotriazole-5-carbonylamino)-3-azabicyclo[3.1.0]hexane-3-carboxylic acid
CID 90435522
N-cyclopentyl-3-[2-(methylamino)-4-pyridinyl]benzamide
CID 123855665
N-pyrimidin-2-yl-2H-benzotriazole-5-carboxamide
CID 29368084
2-[3-[4-(cyclopropylcarbamoyl)-2-pyridinyl]phenyl]acetic acid
CID 155910539

Frequently Asked Questions

What is the IUPAC name of N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide?
The IUPAC name of N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide (CID 175645409) is N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide.
What is the SMILES notation for N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide?
The canonical SMILES for N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide is O=C(NC1CCC(n2cccc3ccnc2-3)CC1)c1ccc2n[nH]nc2c1.
What is the InChIKey of N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide?
The InChIKey is NKZIATZPCOHEST-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O/c27-20(14-3-8-17-18(12-14)24-25-23-17)22-15-4-6-16(7-5-15)26-11-1-2-13-9-10-21-19(13)26/h1-3,8-12,15-16H,4-7H2,(H,22,27)(H,23,24,25).
What are the key properties of N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide?
N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide has a molecular weight of 360.42 g/mol, XLogP of 3.17, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-pyrrolo[2,3-b]pyridin-7-ylcyclohexyl)-2H-benzotriazole-5-carboxamide is sourced from PubChem (CID 175645409), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).