3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide

C26H15ClF4N4O — CID 134522113

IUPAC3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C26H15ClF4N4O/c27-21-4-2-1-3-19(21)24-20-11-5-15(13-22(20)35(34-24)18-9-6-16(28)7-10-18)25(36)33-17-8-12-23(32-14-17)26(29,30)31/h1-14H,(H,33,36)
InChIKeyGHCDISMHZQFCQQ-UHFFFAOYSA-N
MW510.88 g/mol
LogP7.15
Rot. Bonds4

About 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide

3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide (PubChem CID 134522113) has the molecular formula C26H15ClF4N4O and a molecular weight of 510.88 g/mol. Its IUPAC name is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide.

Molecular Properties

Compound Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide
PubChem CID134522113
Molecular FormulaC26H15ClF4N4O
Molecular Weight510.88 g/mol
Exact Mass510.09
IUPAC Name3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide
SMILESO=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1
InChIInChI=1S/C26H15ClF4N4O/c27-21-4-2-1-3-19(21)24-20-11-5-15(13-22(20)35(34-24)18-9-6-16(28)7-10-18)25(36)33-17-8-12-23(32-14-17)26(29,30)31/h1-14H,(H,33,36)
InChIKeyGHCDISMHZQFCQQ-UHFFFAOYSA-N
XLogP7.15
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.88
LogP ≤ 57.15
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-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide?
The IUPAC name of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide (CID 134522113) is 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide.
What is the SMILES notation for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide?
The canonical SMILES for 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide is O=C(Nc1ccc(C(F)(F)F)nc1)c1ccc2c(-c3ccccc3Cl)nn(-c3ccc(F)cc3)c2c1.
What is the InChIKey of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide?
The InChIKey is GHCDISMHZQFCQQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H15ClF4N4O/c27-21-4-2-1-3-19(21)24-20-11-5-15(13-22(20)35(34-24)18-9-6-16(28)7-10-18)25(36)33-17-8-12-23(32-14-17)26(29,30)31/h1-14H,(H,33,36).
What are the key properties of 3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide?
3-(2-chlorophenyl)-1-(4-fluorophenyl)-N-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide has a molecular weight of 510.88 g/mol, XLogP of 7.15, 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-[6-(trifluoromethyl)-3-pyridinyl]indazole-6-carboxamide is sourced from PubChem (CID 134522113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).