3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide

C25H20ClFN4O2 — CID 134522553

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide
SMILESCN1CC(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)CC1=O
InChIInChI=1S/C25H20ClFN4O2/c1-30-14-17(13-23(30)32)28-25(33)15-6-11-20-22(12-15)31(18-9-7-16(27)8-10-18)29-24(20)19-4-2-3-5-21(19)26/h2-12,17H,13-14H2,1H3,(H,28,33)
InChIKeyZUDAILDJDCCLGW-UHFFFAOYSA-N
MW462.91 g/mol
LogP4.45
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide (PubChem CID 134522553) has the molecular formula C25H20ClFN4O2 and a molecular weight of 462.91 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide
PubChem CID134522553
Molecular FormulaC25H20ClFN4O2
Molecular Weight462.91 g/mol
Exact Mass462.13
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide
SMILESCN1CC(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)CC1=O
InChIInChI=1S/C25H20ClFN4O2/c1-30-14-17(13-23(30)32)28-25(33)15-6-11-20-22(12-15)31(18-9-7-16(27)8-10-18)29-24(20)19-4-2-3-5-21(19)26/h2-12,17H,13-14H2,1H3,(H,28,33)
InChIKeyZUDAILDJDCCLGW-UHFFFAOYSA-N
XLogP4.45
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.91
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide (CID 134522553) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide is CN1CC(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)CC1=O.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide?
The InChIKey is ZUDAILDJDCCLGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20ClFN4O2/c1-30-14-17(13-23(30)32)28-25(33)15-6-11-20-22(12-15)31(18-9-7-16(27)8-10-18)29-24(20)19-4-2-3-5-21(19)26/h2-12,17H,13-14H2,1H3,(H,28,33).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide has a molecular weight of 462.91 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(1-methyl-5-oxopyrrolidin-3-yl)indazole-6-carboxamide is sourced from PubChem (CID 134522553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).