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

C27H26Cl2N4O — CID 59292101

IUPACN-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(c3ccccc3Cl)N3CCCC3)nc2c1
InChIInChI=1S/C27H26Cl2N4O/c28-22-7-5-6-19(14-22)16-30-27(34)20-10-11-21-17-33(31-25(21)15-20)18-26(32-12-3-4-13-32)23-8-1-2-9-24(23)29/h1-2,5-11,14-15,17,26H,3-4,12-13,16,18H2,(H,30,34)
InChIKeyKKBFDKKMEFUBNZ-UHFFFAOYSA-N
MW493.44 g/mol
LogP6.11
Rot. Bonds7

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

N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide (PubChem CID 59292101) has the molecular formula C27H26Cl2N4O and a molecular weight of 493.44 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
PubChem CID59292101
Molecular FormulaC27H26Cl2N4O
Molecular Weight493.44 g/mol
Exact Mass492.15
IUPAC NameN-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide
SMILESO=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(c3ccccc3Cl)N3CCCC3)nc2c1
InChIInChI=1S/C27H26Cl2N4O/c28-22-7-5-6-19(14-22)16-30-27(34)20-10-11-21-17-33(31-25(21)15-20)18-26(32-12-3-4-13-32)23-8-1-2-9-24(23)29/h1-2,5-11,14-15,17,26H,3-4,12-13,16,18H2,(H,30,34)
InChIKeyKKBFDKKMEFUBNZ-UHFFFAOYSA-N
XLogP6.11
TPSA50.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500493.44
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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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-(4-methoxyphenyl)-2-piperidin-1-ylethyl]indazole-6-carboxamide
CID 59292100
N-[(3-chlorophenyl)methyl]-2-[2-(2-fluorophenyl)ethyl]indazole-6-carboxamide
CID 24760691
N-[(3-chlorophenyl)methyl]-2-[3-(oxan-2-yl)-2-pyridin-2-ylpropyl]indazole-6-carboxamide
CID 59292115
2-[2-(4-chloro-3,5-dimethylpyrazol-1-yl)ethyl]-N-[(3-chlorophenyl)methyl]indazole-6-carboxamide
CID 59292087
N-[(3-chlorophenyl)methyl]-12-oxo-7,8,9,10-tetrahydro-6H-azepino[2,1-b]quinazoline-3-carboxamide
CID 9096007
3-chloro-N-[2-(2-chlorophenyl)-2-(4-methylpiperazin-1-yl)ethyl]benzamide
CID 112504717
N-[(3-chlorophenyl)methyl]quinoline-6-carboxamide
CID 23653724
4-(azepan-1-ylsulfonyl)-N-[(3-chlorophenyl)methyl]benzamide
CID 5135953
N-[(2R)-2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-2-naphthalen-1-ylacetamide
CID 35043919
N-[(3-chlorophenyl)methyl]-4-[(2-chlorophenyl)sulfamoyl]benzamide
CID 46529076
N-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]-4-methoxybenzamide
CID 17011529

Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide (CID 59292101) is N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide is O=C(NCc1cccc(Cl)c1)c1ccc2cn(CC(c3ccccc3Cl)N3CCCC3)nc2c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
The InChIKey is KKBFDKKMEFUBNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H26Cl2N4O/c28-22-7-5-6-19(14-22)16-30-27(34)20-10-11-21-17-33(31-25(21)15-20)18-26(32-12-3-4-13-32)23-8-1-2-9-24(23)29/h1-2,5-11,14-15,17,26H,3-4,12-13,16,18H2,(H,30,34).
What are the key properties of N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide?
N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide has a molecular weight of 493.44 g/mol, XLogP of 6.11, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-[2-(2-chlorophenyl)-2-pyrrolidin-1-ylethyl]indazole-6-carboxamide is sourced from PubChem (CID 59292101), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).