N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide

C15H14ClN7O — CID 167899812

IUPACN-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1Cl)C1(c2nn[nH]n2)CC2CC2C1
InChIInChI=1S/C15H14ClN7O/c16-12-9-6-17-19-10(9)1-2-11(12)18-14(24)15(13-20-22-23-21-13)4-7-3-8(7)5-15/h1-2,6-8H,3-5H2,(H,17,19)(H,18,24)(H,20,21,22,23)
InChIKeyJSKQKILAUOFYHH-UHFFFAOYSA-N
MW343.78 g/mol
LogP2.04
Rot. Bonds3

About N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide

N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide (PubChem CID 167899812) has the molecular formula C15H14ClN7O and a molecular weight of 343.78 g/mol. Its IUPAC name is N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide.

Molecular Properties

Compound NameN-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
PubChem CID167899812
Molecular FormulaC15H14ClN7O
Molecular Weight343.78 g/mol
Exact Mass343.09
IUPAC NameN-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide
SMILESO=C(Nc1ccc2[nH]ncc2c1Cl)C1(c2nn[nH]n2)CC2CC2C1
InChIInChI=1S/C15H14ClN7O/c16-12-9-6-17-19-10(9)1-2-11(12)18-14(24)15(13-20-22-23-21-13)4-7-3-8(7)5-15/h1-2,6-8H,3-5H2,(H,17,19)(H,18,24)(H,20,21,22,23)
InChIKeyJSKQKILAUOFYHH-UHFFFAOYSA-N
XLogP2.04
TPSA112.24 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.78
LogP ≤ 52.04
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide with MolForge

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Related Compounds

3-acetamido-N-(4-chloro-1H-indazol-5-yl)pyridine-2-carboxamide
CID 167970294
2-chloro-N-(4-chloro-1H-indazol-5-yl)pyridine-3-carboxamide
CID 167754132
N-(4-chloro-1H-indazol-5-yl)-2-(dimethylamino)pyridine-4-carboxamide
CID 167812323
N-(4-chloro-1H-indazol-5-yl)-3-methylsulfanylpyrazine-2-carboxamide
CID 167744320
N-(4-chloro-1H-indazol-5-yl)-2-(2-methoxyethoxy)pyridine-3-carboxamide
CID 166365276
N-quinolin-4-yl-1-(2H-tetrazol-5-yl)cyclobutane-1-carboxamide
CID 167832169
2-(dimethylamino)-N-(1H-indazol-4-yl)acetamide
CID 110479732
N-(4-chloro-1H-indazol-5-yl)-2-(cyclopropylmethoxy)ethanesulfonamide
CID 154789293
2-[(4-chloro-1H-indazol-5-yl)sulfamoyl]-N,N-dimethylpyridine-3-carboxamide
CID 166365288
N-(1H-indazol-4-yl)-4-methylpiperidine-4-carboxamide
CID 55177746
N-(4-chloro-1H-indazol-5-yl)-2-methoxyethanesulfonamide
CID 138046747
4-[3-[(4-chloro-1H-indazol-5-yl)amino]-1H-1,2,4-triazol-5-yl]-2-methoxy-N-(2,2,2-trifluoroethyl)benzamide
CID 139365838

Frequently Asked Questions

What is the IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The IUPAC name of N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide (CID 167899812) is N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide.
What is the SMILES notation for N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The canonical SMILES for N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide is O=C(Nc1ccc2[nH]ncc2c1Cl)C1(c2nn[nH]n2)CC2CC2C1.
What is the InChIKey of N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide?
The InChIKey is JSKQKILAUOFYHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14ClN7O/c16-12-9-6-17-19-10(9)1-2-11(12)18-14(24)15(13-20-22-23-21-13)4-7-3-8(7)5-15/h1-2,6-8H,3-5H2,(H,17,19)(H,18,24)(H,20,21,22,23).
What are the key properties of N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide?
N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide has a molecular weight of 343.78 g/mol, XLogP of 2.04, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chloro-1H-indazol-5-yl)-3-(2H-tetrazol-5-yl)bicyclo[3.1.0]hexane-3-carboxamide is sourced from PubChem (CID 167899812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).