N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride

C21H27Cl2N5O — CID 169208379

IUPACN-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCc1cc(N)ccc1-c1ccc2[nH]nc(NC(=O)C3CCN(C)CC3)c2c1.Cl.Cl
InChIInChI=1S/C21H25N5O.2ClH/c1-13-11-16(22)4-5-17(13)15-3-6-19-18(12-15)20(25-24-19)23-21(27)14-7-9-26(2)10-8-14;;/h3-6,11-12,14H,7-10,22H2,1-2H3,(H2,23,24,25,27);2*1H
InChIKeyDAYFFPQIJHPASC-UHFFFAOYSA-N
MW436.39 g/mol
LogP4.24
Rot. Bonds3

About N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride

N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride (PubChem CID 169208379) has the molecular formula C21H27Cl2N5O and a molecular weight of 436.39 g/mol. Its IUPAC name is N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound NameN-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride
PubChem CID169208379
Molecular FormulaC21H27Cl2N5O
Molecular Weight436.39 g/mol
Exact Mass435.16
IUPAC NameN-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride
SMILESCc1cc(N)ccc1-c1ccc2[nH]nc(NC(=O)C3CCN(C)CC3)c2c1.Cl.Cl
InChIInChI=1S/C21H25N5O.2ClH/c1-13-11-16(22)4-5-17(13)15-3-6-19-18(12-15)20(25-24-19)23-21(27)14-7-9-26(2)10-8-14;;/h3-6,11-12,14H,7-10,22H2,1-2H3,(H2,23,24,25,27);2*1H
InChIKeyDAYFFPQIJHPASC-UHFFFAOYSA-N
XLogP4.24
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500436.39
LogP ≤ 54.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[5-(2-fluorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208506
1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 169208576
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
(3R)-N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;dihydrochloride
CID 169208126
N-[5-(4-amino-2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207949
N-[5-(2-chloro-5-nitrophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170170455
(3R)-N-[5-(2-chloro-4-methylphenyl)-1H-indazol-3-yl]piperidine-3-carboxamide;hydrochloride
CID 169208592
1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride
CID 169208300
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
(3R)-N-[5-(2,4-dichlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207900
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[6-(2,5-dimethylphenyl)-1H-indazol-3-yl]cyclohexanecarboxamide
CID 69065189

Frequently Asked Questions

What is the IUPAC name of N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
The IUPAC name of N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride (CID 169208379) is N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride is Cc1cc(N)ccc1-c1ccc2[nH]nc(NC(=O)C3CCN(C)CC3)c2c1.Cl.Cl.
What is the InChIKey of N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
The InChIKey is DAYFFPQIJHPASC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N5O.2ClH/c1-13-11-16(22)4-5-17(13)15-3-6-19-18(12-15)20(25-24-19)23-21(27)14-7-9-26(2)10-8-14;;/h3-6,11-12,14H,7-10,22H2,1-2H3,(H2,23,24,25,27);2*1H.
What are the key properties of N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride?
N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride has a molecular weight of 436.39 g/mol, XLogP of 4.24, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 169208379), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).