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

C19H22Cl3N5O — CID 169208126

IUPAC(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCCNC4)c3c2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O.2ClH/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);2*1H/t12-;;/m1../s1
InChIKeyLXRRXWBFRBNMJA-CURYUGHLSA-N
MW442.78 g/mol
LogP4.25
Rot. Bonds3

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

(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride (PubChem CID 169208126) has the molecular formula C19H22Cl3N5O and a molecular weight of 442.78 g/mol. Its IUPAC name is (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride.

Molecular Properties

Compound Name(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
PubChem CID169208126
Molecular FormulaC19H22Cl3N5O
Molecular Weight442.78 g/mol
Exact Mass441.09
IUPAC Name(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
SMILESCl.Cl.Nc1ccc(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCCNC4)c3c2)c(Cl)c1
InChIInChI=1S/C19H20ClN5O.2ClH/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);2*1H/t12-;;/m1../s1
InChIKeyLXRRXWBFRBNMJA-CURYUGHLSA-N
XLogP4.25
TPSA95.83 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.78
LogP ≤ 54.25
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

N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 169208592
(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-[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
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-(methylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208450
(3S)-N-(2,4,5-trichlorophenyl)piperidine-3-carboxamide
CID 29294269
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(propan-2-ylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207855
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499

Frequently Asked Questions

What is the IUPAC name of (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
The IUPAC name of (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride (CID 169208126) is (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride.
What is the SMILES notation for (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
The canonical SMILES for (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride is Cl.Cl.Nc1ccc(-c2ccc3[nH]nc(NC(=O)[C@@H]4CCCNC4)c3c2)c(Cl)c1.
What is the InChIKey of (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
The InChIKey is LXRRXWBFRBNMJA-CURYUGHLSA-N. The full InChI is InChI=1S/C19H20ClN5O.2ClH/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);2*1H/t12-;;/m1../s1.
What are the key properties of (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride?
(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride has a molecular weight of 442.78 g/mol, XLogP of 4.25, 3 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 169208126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).