1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride

C17H21ClN6O — CID 169208576

IUPAC1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccn[nH]4)cc23)CC1.Cl
InChIInChI=1S/C17H20N6O.ClH/c1-23-8-5-11(6-9-23)17(24)19-16-13-10-12(14-4-7-18-20-14)2-3-15(13)21-22-16;/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,20)(H2,19,21,22,24);1H
InChIKeyGGBMSRHZXGYZRB-UHFFFAOYSA-N
MW360.85 g/mol
LogP2.66
Rot. Bonds3

About 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride

1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride (PubChem CID 169208576) has the molecular formula C17H21ClN6O and a molecular weight of 360.85 g/mol. Its IUPAC name is 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride.

Molecular Properties

Compound Name1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride
PubChem CID169208576
Molecular FormulaC17H21ClN6O
Molecular Weight360.85 g/mol
Exact Mass360.15
IUPAC Name1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride
SMILESCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccn[nH]4)cc23)CC1.Cl
InChIInChI=1S/C17H20N6O.ClH/c1-23-8-5-11(6-9-23)17(24)19-16-13-10-12(14-4-7-18-20-14)2-3-15(13)21-22-16;/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,20)(H2,19,21,22,24);1H
InChIKeyGGBMSRHZXGYZRB-UHFFFAOYSA-N
XLogP2.66
TPSA89.70 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.85
LogP ≤ 52.66
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
N-[5-(4-amino-2-methylphenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;dihydrochloride
CID 169208379
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
CID 169208499
N-[5-(2-chloro-5-nitrophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170170455
1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride
CID 169208300
N-[6-(3-hydroxyphenyl)-1H-pyrazolo[5,4-b]pyridin-3-yl]-1-methylpiperidine-4-carboxamide
CID 10126037
N-(5-fluoro-1H-indazol-3-yl)piperidine-4-carboxamide
CID 110471863
N-(6-methyl-1H-pyrazolo[4,3-c]pyridin-3-yl)cyclopropanecarboxamide
CID 144598761
N-[6-(6-oxo-1H-pyridin-3-yl)-1H-indazol-3-yl]cyclopropanecarboxamide
CID 6539601
N-(1H-indazol-3-yl)cyclopentanecarboxamide
CID 60729859
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
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-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The IUPAC name of 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride (CID 169208576) is 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride.
What is the SMILES notation for 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The canonical SMILES for 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride is CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4ccn[nH]4)cc23)CC1.Cl.
What is the InChIKey of 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride?
The InChIKey is GGBMSRHZXGYZRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O.ClH/c1-23-8-5-11(6-9-23)17(24)19-16-13-10-12(14-4-7-18-20-14)2-3-15(13)21-22-16;/h2-4,7,10-11H,5-6,8-9H2,1H3,(H,18,20)(H2,19,21,22,24);1H.
What are the key properties of 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride?
1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride has a molecular weight of 360.85 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride is sourced from PubChem (CID 169208576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).