(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide

C19H18Cl2N4O — CID 169207900

IUPAC(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccc(Cl)cc3Cl)cc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H18Cl2N4O/c20-13-4-5-14(16(21)9-13)11-3-6-17-15(8-11)18(25-24-17)23-19(26)12-2-1-7-22-10-12/h3-6,8-9,12,22H,1-2,7,10H2,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyYZWAYQZWZZBQGS-GFCCVEGCSA-N
MW389.29 g/mol
LogP4.47
Rot. Bonds3

About (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide

(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide (PubChem CID 169207900) has the molecular formula C19H18Cl2N4O and a molecular weight of 389.29 g/mol. Its IUPAC name is (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound Name(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
PubChem CID169207900
Molecular FormulaC19H18Cl2N4O
Molecular Weight389.29 g/mol
Exact Mass388.09
IUPAC Name(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
SMILESO=C(Nc1n[nH]c2ccc(-c3ccc(Cl)cc3Cl)cc12)[C@@H]1CCCNC1
InChIInChI=1S/C19H18Cl2N4O/c20-13-4-5-14(16(21)9-13)11-3-6-17-15(8-11)18(25-24-17)23-19(26)12-2-1-7-22-10-12/h3-6,8-9,12,22H,1-2,7,10H2,(H2,23,24,25,26)/t12-/m1/s1
InChIKeyYZWAYQZWZZBQGS-GFCCVEGCSA-N
XLogP4.47
TPSA69.81 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500389.29
LogP ≤ 54.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

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-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
(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-(cyclopentylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208370
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416
(3S)-N-(5-chloro-2-fluorophenyl)piperidine-3-carboxamide
CID 81124041
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
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide (CID 169207900) is (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide is O=C(Nc1n[nH]c2ccc(-c3ccc(Cl)cc3Cl)cc12)[C@@H]1CCCNC1.
What is the InChIKey of (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The InChIKey is YZWAYQZWZZBQGS-GFCCVEGCSA-N. The full InChI is InChI=1S/C19H18Cl2N4O/c20-13-4-5-14(16(21)9-13)11-3-6-17-15(8-11)18(25-24-17)23-19(26)12-2-1-7-22-10-12/h3-6,8-9,12,22H,1-2,7,10H2,(H2,23,24,25,26)/t12-/m1/s1.
What are the key properties of (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide has a molecular weight of 389.29 g/mol, XLogP of 4.47, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 169207900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).