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

C24H18ClFN4O2 — CID 134522134

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide
SMILESO=C(NC1CCNC1=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18ClFN4O2/c25-19-4-2-1-3-17(19)22-18-10-5-14(23(31)28-20-11-12-27-24(20)32)13-21(18)30(29-22)16-8-6-15(26)7-9-16/h1-10,13,20H,11-12H2,(H,27,32)(H,28,31)
InChIKeyJSYKDXJJRYARSA-UHFFFAOYSA-N
MW448.89 g/mol
LogP4.10
Rot. Bonds4

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

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide (PubChem CID 134522134) has the molecular formula C24H18ClFN4O2 and a molecular weight of 448.89 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide
PubChem CID134522134
Molecular FormulaC24H18ClFN4O2
Molecular Weight448.89 g/mol
Exact Mass448.11
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide
SMILESO=C(NC1CCNC1=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C24H18ClFN4O2/c25-19-4-2-1-3-17(19)22-18-10-5-14(23(31)28-20-11-12-27-24(20)32)13-21(18)30(29-22)16-8-6-15(26)7-9-16/h1-10,13,20H,11-12H2,(H,27,32)(H,28,31)
InChIKeyJSYKDXJJRYARSA-UHFFFAOYSA-N
XLogP4.10
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.89
LogP ≤ 54.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide (CID 134522134) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide is O=C(NC1CCNC1=O)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide?
The InChIKey is JSYKDXJJRYARSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18ClFN4O2/c25-19-4-2-1-3-17(19)22-18-10-5-14(23(31)28-20-11-12-27-24(20)32)13-21(18)30(29-22)16-8-6-15(26)7-9-16/h1-10,13,20H,11-12H2,(H,27,32)(H,28,31).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide has a molecular weight of 448.89 g/mol, XLogP of 4.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-(2-oxopyrrolidin-3-yl)indazole-6-carboxamide is sourced from PubChem (CID 134522134), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).