N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide

C29H31ClN4O2 — CID 59292100

IUPACN-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
SMILESCOc1ccc(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)N2CCCCC2)cc1
InChIInChI=1S/C29H31ClN4O2/c1-36-26-12-10-22(11-13-26)28(33-14-3-2-4-15-33)20-34-19-24-9-8-23(17-27(24)32-34)29(35)31-18-21-6-5-7-25(30)16-21/h5-13,16-17,19,28H,2-4,14-15,18,20H2,1H3,(H,31,35)
InChIKeyLZASHIIHBNUWQA-UHFFFAOYSA-N
MW503.05 g/mol
LogP5.86
Rot. Bonds8

About N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide

N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide (PubChem CID 59292100) has the molecular formula C29H31ClN4O2 and a molecular weight of 503.05 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
PubChem CID59292100
Molecular FormulaC29H31ClN4O2
Molecular Weight503.05 g/mol
Exact Mass502.21
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
SMILESCOc1ccc(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)N2CCCCC2)cc1
InChIInChI=1S/C29H31ClN4O2/c1-36-26-12-10-22(11-13-26)28(33-14-3-2-4-15-33)20-34-19-24-9-8-23(17-27(24)32-34)29(35)31-18-21-6-5-7-25(30)16-21/h5-13,16-17,19,28H,2-4,14-15,18,20H2,1H3,(H,31,35)
InChIKeyLZASHIIHBNUWQA-UHFFFAOYSA-N
XLogP5.86
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500503.05
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292094
N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
CID 59292101
N-[2-(3-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 112506809
N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
CID 24760691
3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 166324576
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
CID 59292087
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
CID 59292115
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
N-[(3-chlorophenyl)methyl]-3-[(3R)-1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 92872314
N-[(3-chlorophenyl)methyl]-3-[1-(4-methoxybenzoyl)piperidin-3-yl]benzamide
CID 46333937
3-fluoro-N-[(2R)-2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 2521454

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide (CID 59292100) is N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide is COc1ccc(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)N2CCCCC2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide?
The InChIKey is LZASHIIHBNUWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H31ClN4O2/c1-36-26-12-10-22(11-13-26)28(33-14-3-2-4-15-33)20-34-19-24-9-8-23(17-27(24)32-34)29(35)31-18-21-6-5-7-25(30)16-21/h5-13,16-17,19,28H,2-4,14-15,18,20H2,1H3,(H,31,35).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide has a molecular weight of 503.05 g/mol, XLogP of 5.86, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide is sourced from PubChem (CID 59292100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).