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

C24H16ClFN4O — CID 134522594

IUPAC3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESN#CC1(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C24H16ClFN4O/c25-20-4-2-1-3-18(20)22-19-10-5-15(23(31)28-24(14-27)11-12-24)13-21(19)30(29-22)17-8-6-16(26)7-9-17/h1-10,13H,11-12H2,(H,28,31)
InChIKeyYDTWYYDEMILEQX-UHFFFAOYSA-N
MW430.87 g/mol
LogP5.27
Rot. Bonds4

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

3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide (PubChem CID 134522594) has the molecular formula C24H16ClFN4O and a molecular weight of 430.87 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
PubChem CID134522594
Molecular FormulaC24H16ClFN4O
Molecular Weight430.87 g/mol
Exact Mass430.10
IUPAC Name3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide
SMILESN#CC1(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)CC1
InChIInChI=1S/C24H16ClFN4O/c25-20-4-2-1-3-18(20)22-19-10-5-15(23(31)28-24(14-27)11-12-24)13-21(19)30(29-22)17-8-6-16(26)7-9-17/h1-10,13H,11-12H2,(H,28,31)
InChIKeyYDTWYYDEMILEQX-UHFFFAOYSA-N
XLogP5.27
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.87
LogP ≤ 55.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide (CID 134522594) is 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide is N#CC1(NC(=O)c2ccc3c(-c4ccccc4Cl)nn(-c4ccc(F)cc4)c3c2)CC1.
What is the InChIKey of 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
The InChIKey is YDTWYYDEMILEQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16ClFN4O/c25-20-4-2-1-3-18(20)22-19-10-5-15(23(31)28-24(14-27)11-12-24)13-21(19)30(29-22)17-8-6-16(26)7-9-17/h1-10,13H,11-12H2,(H,28,31).
What are the key properties of 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide?
3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide has a molecular weight of 430.87 g/mol, XLogP of 5.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-chlorophenyl)-N-(1-cyanocyclopropyl)-1-(4-fluorophenyl)indazole-6-carboxamide is sourced from PubChem (CID 134522594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).