(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide

C19H19ClN4O — CID 169207870

IUPAC(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccccc3Cl)cc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H19ClN4O/c20-16-6-2-1-5-14(16)12-7-8-17-15(10-12)18(24-23-17)22-19(25)13-4-3-9-21-11-13/h1-2,5-8,10,13,21H,3-4,9,11H2,(H2,22,23,24,25)/t13-/m1/s1
InChIKeyCSPCKCBBYYKLPN-CYBMUJFWSA-N
MW354.84 g/mol
LogP3.82
Rot. Bonds3

About (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide

(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide (PubChem CID 169207870) has the molecular formula C19H19ClN4O and a molecular weight of 354.84 g/mol. Its IUPAC name is (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
PubChem CID169207870
Molecular FormulaC19H19ClN4O
Molecular Weight354.84 g/mol
Exact Mass354.12
IUPAC Name(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccccc3Cl)cc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H19ClN4O/c20-16-6-2-1-5-14(16)12-7-8-17-15(10-12)18(24-23-17)22-19(25)13-4-3-9-21-11-13/h1-2,5-8,10,13,21H,3-4,9,11H2,(H2,22,23,24,25)/t13-/m1/s1
InChIKeyCSPCKCBBYYKLPN-CYBMUJFWSA-N
XLogP3.82
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.84
LogP ≤ 53.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

(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-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 169208592
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
CID 169207878
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopentylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208370
N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208506
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(methylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208450
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(propan-2-ylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207855

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide (CID 169207870) is (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide is O=C(Nc1n[nH]c2ccc(-c3ccccc3Cl)cc12)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The InChIKey is CSPCKCBBYYKLPN-CYBMUJFWSA-N. The full InChI is InChI=1S/C19H19ClN4O/c20-16-6-2-1-5-14(16)12-7-8-17-15(10-12)18(24-23-17)22-19(25)13-4-3-9-21-11-13/h1-2,5-8,10,13,21H,3-4,9,11H2,(H2,22,23,24,25)/t13-/m1/s1.
What are the key properties of (3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide has a molecular weight of 354.84 g/mol, XLogP of 3.82, 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-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 169207870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).