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

C21H22ClN5O2 — CID 169208499

IUPACN-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4cc(C(N)=O)ccc4Cl)cc23)CC1
InChIInChI=1S/C21H22ClN5O2/c1-27-8-6-12(7-9-27)21(29)24-20-16-10-13(3-5-18(16)25-26-20)15-11-14(19(23)28)2-4-17(15)22/h2-5,10-12H,6-9H2,1H3,(H2,23,28)(H2,24,25,26,29)
InChIKeyRRDRGFIUVZNKQL-UHFFFAOYSA-N
MW411.89 g/mol
LogP3.26
Rot. Bonds4

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

N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide (PubChem CID 169208499) has the molecular formula C21H22ClN5O2 and a molecular weight of 411.89 g/mol. Its IUPAC name is N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide.

Molecular Properties

Compound NameN-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
PubChem CID169208499
Molecular FormulaC21H22ClN5O2
Molecular Weight411.89 g/mol
Exact Mass411.15
IUPAC NameN-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide
SMILESCN1CCC(C(=O)Nc2n[nH]c3ccc(-c4cc(C(N)=O)ccc4Cl)cc23)CC1
InChIInChI=1S/C21H22ClN5O2/c1-27-8-6-12(7-9-27)21(29)24-20-16-10-13(3-5-18(16)25-26-20)15-11-14(19(23)28)2-4-17(15)22/h2-5,10-12H,6-9H2,1H3,(H2,23,28)(H2,24,25,26,29)
InChIKeyRRDRGFIUVZNKQL-UHFFFAOYSA-N
XLogP3.26
TPSA104.11 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.89
LogP ≤ 53.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

N-[5-(2-chloro-5-nitrophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide;2,2,2-trifluoroacetic acid
CID 170170455
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
(3R)-N-[5-(5-acetyl-2-chlorophenyl)-1H-indazol-3-yl]pyrrolidine-3-carboxamide;hydrochloride
CID 169208014
1-methyl-N-[5-(1H-pyrazol-5-yl)-1H-indazol-3-yl]piperidine-4-carboxamide;hydrochloride
CID 169208576
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-(methylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208450
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopropylamino)cyclobutane-1-carboxamide
CID 169208416
(3R)-N-[5-(2-chlorophenyl)-1H-indazol-3-yl]piperidine-3-carboxamide
CID 169207870
1-(3-aminopropyl)-N-[5-(2-chloro-6-fluorophenyl)-1H-indazol-3-yl]piperidine-4-carboxamide;dihydrochloride
CID 169208300
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(propan-2-ylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169207855
N-[5-(2-chloro-5-cyanophenyl)-1H-indazol-3-yl]-3-(cyclopentylamino)cyclobutane-1-carboxamide;hydrochloride
CID 169208370

Frequently Asked Questions

What is the IUPAC name of N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
The IUPAC name of N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide (CID 169208499) is N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide.
What is the SMILES notation for N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
The canonical SMILES for N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide is CN1CCC(C(=O)Nc2n[nH]c3ccc(-c4cc(C(N)=O)ccc4Cl)cc23)CC1.
What is the InChIKey of N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
The InChIKey is RRDRGFIUVZNKQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN5O2/c1-27-8-6-12(7-9-27)21(29)24-20-16-10-13(3-5-18(16)25-26-20)15-11-14(19(23)28)2-4-17(15)22/h2-5,10-12H,6-9H2,1H3,(H2,23,28)(H2,24,25,26,29).
What are the key properties of N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide?
N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide has a molecular weight of 411.89 g/mol, XLogP of 3.26, 4 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(5-carbamoyl-2-chlorophenyl)-1H-indazol-3-yl]-1-methylpiperidine-4-carboxamide is sourced from PubChem (CID 169208499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).