N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide

C20H18ClN5O — CID 169207878

IUPACN-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
SMILESN#Cc1ccc(Cl)c(-c2ccc3[nH]nc(NC(=O)C4CCNCC4)c3c2)c1
InChIInChI=1S/C20H18ClN5O/c21-17-3-1-12(11-22)9-15(17)14-2-4-18-16(10-14)19(26-25-18)24-20(27)13-5-7-23-8-6-13/h1-4,9-10,13,23H,5-8H2,(H2,24,25,26,27)
InChIKeyWGWZPYCURZOMFB-UHFFFAOYSA-N
MW379.85 g/mol
LogP3.69
Rot. Bonds3

About N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide

N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide (PubChem CID 169207878) has the molecular formula C20H18ClN5O and a molecular weight of 379.85 g/mol. Its IUPAC name is N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
PubChem CID169207878
Molecular FormulaC20H18ClN5O
Molecular Weight379.85 g/mol
Exact Mass379.12
IUPAC NameN-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
SMILESN#Cc1ccc(Cl)c(-c2ccc3[nH]nc(NC(=O)C4CCNCC4)c3c2)c1
InChIInChI=1S/C20H18ClN5O/c21-17-3-1-12(11-22)9-15(17)14-2-4-18-16(10-14)19(26-25-18)24-20(27)13-5-7-23-8-6-13/h1-4,9-10,13,23H,5-8H2,(H2,24,25,26,27)
InChIKeyWGWZPYCURZOMFB-UHFFFAOYSA-N
XLogP3.69
TPSA93.60 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.85
LogP ≤ 53.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

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-(methylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208450
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-(propan-2-ylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207855
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(2-fluoroethylamino)cyclobutane-1-carboxamide
CID 169207868
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(2-fluoroethylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207867
tert-butyl (5R)-5-[[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]carbamoyl]-2,2-dimethylpiperidine-1-carboxylate
CID 169208093
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900

Frequently Asked Questions

What is the IUPAC name of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide?
The IUPAC name of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide (CID 169207878) is N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide.
What is the SMILES notation for N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide?
The canonical SMILES for N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide is N#Cc1ccc(Cl)c(-c2ccc3[nH]nc(NC(=O)C4CCNCC4)c3c2)c1.
What is the InChIKey of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide?
The InChIKey is WGWZPYCURZOMFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN5O/c21-17-3-1-12(11-22)9-15(17)14-2-4-18-16(10-14)19(26-25-18)24-20(27)13-5-7-23-8-6-13/h1-4,9-10,13,23H,5-8H2,(H2,24,25,26,27).
What are the key properties of N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide?
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide has a molecular weight of 379.85 g/mol, XLogP of 3.69, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide is sourced from PubChem (CID 169207878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).