1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride

C22H27Cl3FN5O — CID 169208300

IUPAC1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4c(F)cccc4Cl)cc23)CC1
InChIInChI=1S/C22H25ClFN5O.2ClH/c23-17-3-1-4-18(24)20(17)15-5-6-19-16(13-15)21(28-27-19)26-22(30)14-7-11-29(12-8-14)10-2-9-25;;/h1,3-6,13-14H,2,7-12,25H2,(H2,26,27,28,30);2*1H
InChIKeyLKZLBCALWBKMPM-UHFFFAOYSA-N
MW502.85 g/mol
LogP4.87
Rot. Bonds6

About 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride

1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride (PubChem CID 169208300) has the molecular formula C22H27Cl3FN5O and a molecular weight of 502.85 g/mol. Its IUPAC name is 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride.

Molecular Properties

Compound Name1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride
PubChem CID169208300
Molecular FormulaC22H27Cl3FN5O
Molecular Weight502.85 g/mol
Exact Mass501.13
IUPAC Name1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride
SMILESCl.Cl.NCCCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4c(F)cccc4Cl)cc23)CC1
InChIInChI=1S/C22H25ClFN5O.2ClH/c23-17-3-1-4-18(24)20(17)15-5-6-19-16(13-15)21(28-27-19)26-22(30)14-7-11-29(12-8-14)10-2-9-25;;/h1,3-6,13-14H,2,7-12,25H2,(H2,26,27,28,30);2*1H
InChIKeyLKZLBCALWBKMPM-UHFFFAOYSA-N
XLogP4.87
TPSA87.04 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.85
LogP ≤ 54.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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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
N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 169208379
N-[6-(2,6-dimethylphenyl)-1H-indazol-3-yl]cyclobutanecarboxamide
CID 69064177
N-[5-(2,6-dichlorophenyl)-1H-indazol-3-yl]-2-[(2S)-pyrrolidin-2-yl]acetamide
CID 169207873
N-(4-fluoro-1H-indazol-3-yl)cyclopropanecarboxamide
CID 110470290
N-(4-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide;hydrochloride
CID 119304839
N-[5-(2-chloro-5-nitrophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170170455
N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide
CID 169207878

Frequently Asked Questions

What is the IUPAC name of 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride?
The IUPAC name of 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride (CID 169208300) is 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride.
What is the SMILES notation for 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride?
The canonical SMILES for 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride is Cl.Cl.NCCCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4c(F)cccc4Cl)cc23)CC1.
What is the InChIKey of 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride?
The InChIKey is LKZLBCALWBKMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O.2ClH/c23-17-3-1-4-18(24)20(17)15-5-6-19-16(13-15)21(28-27-19)26-22(30)14-7-11-29(12-8-14)10-2-9-25;;/h1,3-6,13-14H,2,7-12,25H2,(H2,26,27,28,30);2*1H.
What are the key properties of 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride?
1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride has a molecular weight of 502.85 g/mol, XLogP of 4.87, 6 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride is sourced from PubChem (CID 169208300), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).