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

C19H20ClN5O — CID 169207949

IUPACN-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
SMILESNc1ccc(-c2ccc3[nH]nc(NC(=O)C4CCCNC4)c3c2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O/c20-16-9-13(21)4-5-14(16)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,1-2,7,10,21H2,(H2,23,24,25,26)
InChIKeyVSCSDAYEVJZVKO-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.40
Rot. Bonds3

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

N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide (PubChem CID 169207949) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide.

Molecular Properties

Compound NameN-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
PubChem CID169207949
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC NameN-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
SMILESNc1ccc(-c2ccc3[nH]nc(NC(=O)C4CCCNC4)c3c2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O/c20-16-9-13(21)4-5-14(16)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,1-2,7,10,21H2,(H2,23,24,25,26)
InChIKeyVSCSDAYEVJZVKO-UHFFFAOYSA-N
XLogP3.40
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.40
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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
(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-(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]piperidine-4-carboxamide
CID 169207878
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopentylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208370
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416
N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 169207873

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The IUPAC name of N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide (CID 169207949) is N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide.
What is the SMILES notation for N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The canonical SMILES for N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide is Nc1ccc(-c2ccc3[nH]nc(NC(=O)C4CCCNC4)c3c2)c(Cl)c1.
What is the InChIKey of N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
The InChIKey is VSCSDAYEVJZVKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c20-16-9-13(21)4-5-14(16)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,1-2,7,10,21H2,(H2,23,24,25,26).
What are the key properties of N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide?
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide has a molecular weight of 369.86 g/mol, XLogP of 3.40, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide is sourced from PubChem (CID 169207949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).