(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride

C20H22Cl2N4O — CID 169208592

IUPAC(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCCNC4)c3c2)c(Cl)c1.Cl
InChIInChI=1S/C20H21ClN4O.ClH/c1-12-4-6-15(17(21)9-12)13-5-7-18-16(10-13)19(25-24-18)23-20(26)14-3-2-8-22-11-14;/h4-7,9-10,14,22H,2-3,8,11H2,1H3,(H2,23,24,25,26);1H/t14-;/m1./s1
InChIKeyVAGQALXAEZVKDS-PFEQFJNWSA-N
MW405.33 g/mol
LogP4.55
Rot. Bonds3

About (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride

(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride (PubChem CID 169208592) has the molecular formula C20H22Cl2N4O and a molecular weight of 405.33 g/mol. Its IUPAC name is (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride.

Molecular Properties

Compound Name(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
PubChem CID169208592
Molecular FormulaC20H22Cl2N4O
Molecular Weight405.33 g/mol
Exact Mass404.12
IUPAC Name(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
SMILESCc1ccc(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCCNC4)c3c2)c(Cl)c1.Cl
InChIInChI=1S/C20H21ClN4O.ClH/c1-12-4-6-15(17(21)9-12)13-5-7-18-16(10-13)19(25-24-18)23-20(26)14-3-2-8-22-11-14;/h4-7,9-10,14,22H,2-3,8,11H2,1H3,(H2,23,24,25,26);1H/t14-;/m1./s1
InChIKeyVAGQALXAEZVKDS-PFEQFJNWSA-N
XLogP4.55
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.33
LogP ≤ 54.55
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
N-(2-chloro-4-methylphenyl)piperidine-3-carboxamide;hydrochloride
CID 119262654
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
CID 169207878
N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 169208379
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208450
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(propan-2-ylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207855
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopentylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208370
N-[5-(4-bromophenyl)-4-ethyl-1H-pyrazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 119323739

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The IUPAC name of (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride (CID 169208592) is (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride.
What is the SMILES notation for (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The canonical SMILES for (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride is Cc1ccc(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCCNC4)c3c2)c(Cl)c1.Cl.
What is the InChIKey of (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride?
The InChIKey is VAGQALXAEZVKDS-PFEQFJNWSA-N. The full InChI is InChI=1S/C20H21ClN4O.ClH/c1-12-4-6-15(17(21)9-12)13-5-7-18-16(10-13)19(25-24-18)23-20(26)14-3-2-8-22-11-14;/h4-7,9-10,14,22H,2-3,8,11H2,1H3,(H2,23,24,25,26);1H/t14-;/m1./s1.
What are the key properties of (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride?
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride has a molecular weight of 405.33 g/mol, XLogP of 4.55, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride is sourced from PubChem (CID 169208592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).