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

C28H29ClN4O2 — CID 59292094

IUPACN-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
SMILESCOc1ccc(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)N2CCCC2)cc1
InChIInChI=1S/C28H29ClN4O2/c1-35-25-11-9-21(10-12-25)27(32-13-2-3-14-32)19-33-18-23-8-7-22(16-26(23)31-33)28(34)30-17-20-5-4-6-24(29)15-20/h4-12,15-16,18,27H,2-3,13-14,17,19H2,1H3,(H,30,34)
InChIKeyKAGZTLJIPFJFNL-UHFFFAOYSA-N
MW489.02 g/mol
LogP5.47
Rot. Bonds8

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

N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide (PubChem CID 59292094) has the molecular formula C28H29ClN4O2 and a molecular weight of 489.02 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
PubChem CID59292094
Molecular FormulaC28H29ClN4O2
Molecular Weight489.02 g/mol
Exact Mass488.20
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
SMILESCOc1ccc(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)N2CCCC2)cc1
InChIInChI=1S/C28H29ClN4O2/c1-35-25-11-9-21(10-12-25)27(32-13-2-3-14-32)19-33-18-23-8-7-22(16-26(23)31-33)28(34)30-17-20-5-4-6-24(29)15-20/h4-12,15-16,18,27H,2-3,13-14,17,19H2,1H3,(H,30,34)
InChIKeyKAGZTLJIPFJFNL-UHFFFAOYSA-N
XLogP5.47
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.02
LogP ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
CID 59292100
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
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
CID 59292087
3-[[(4,6-dimethylpyrimidin-2-yl)amino]methyl]-N-[2-(4-methoxyphenyl)-2-piperidin-1-ylethyl]benzamide
CID 166324576
N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
CID 59292115
N-[(2R)-2-(4-chlorophenyl)-2-piperidin-1-ylethyl]-4-methoxybenzamide
CID 40782506
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
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
N-[(2R)-2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]-3-pyrrol-1-ylbenzamide
CID 25340437

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide (CID 59292094) is N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide is COc1ccc(C(Cn2cc3ccc(C(=O)NCc4cccc(Cl)c4)cc3n2)N2CCCC2)cc1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
The InChIKey is KAGZTLJIPFJFNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29ClN4O2/c1-35-25-11-9-21(10-12-25)27(32-13-2-3-14-32)19-33-18-23-8-7-22(16-26(23)31-33)28(34)30-17-20-5-4-6-24(29)15-20/h4-12,15-16,18,27H,2-3,13-14,17,19H2,1H3,(H,30,34).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[2-(4-methoxyphenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide has a molecular weight of 489.02 g/mol, XLogP of 5.47, 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-pyrrolidin-1-ylethyl]indazole-6-carboxamide is sourced from PubChem (CID 59292094), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).