N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

C24H23F3N6O2 — CID 154970316

IUPACN-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1(O)CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cccn4)cc3n2)CC1
InChIInChI=1S/C24H23F3N6O2/c1-23(35)8-6-16(7-9-23)33-14-15-12-19(20(13-18(15)31-33)32-11-3-10-28-32)30-22(34)17-4-2-5-21(29-17)24(25,26)27/h2-5,10-14,16,35H,6-9H2,1H3,(H,30,34)
InChIKeyFVTUBRFGISNLDH-UHFFFAOYSA-N
MW484.48 g/mol
LogP4.75
Rot. Bonds4

About N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide

N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (PubChem CID 154970316) has the molecular formula C24H23F3N6O2 and a molecular weight of 484.48 g/mol. Its IUPAC name is N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.

Molecular Properties

Compound NameN-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
PubChem CID154970316
Molecular FormulaC24H23F3N6O2
Molecular Weight484.48 g/mol
Exact Mass484.18
IUPAC NameN-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide
SMILESCC1(O)CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cccn4)cc3n2)CC1
InChIInChI=1S/C24H23F3N6O2/c1-23(35)8-6-16(7-9-23)33-14-15-12-19(20(13-18(15)31-33)32-11-3-10-28-32)30-22(34)17-4-2-5-21(29-17)24(25,26)27/h2-5,10-14,16,35H,6-9H2,1H3,(H,30,34)
InChIKeyFVTUBRFGISNLDH-UHFFFAOYSA-N
XLogP4.75
TPSA97.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500484.48
LogP ≤ 54.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The IUPAC name of N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide (CID 154970316) is N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide.
What is the SMILES notation for N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The canonical SMILES for N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is CC1(O)CCC(n2cc3cc(NC(=O)c4cccc(C(F)(F)F)n4)c(-n4cccn4)cc3n2)CC1.
What is the InChIKey of N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
The InChIKey is FVTUBRFGISNLDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23F3N6O2/c1-23(35)8-6-16(7-9-23)33-14-15-12-19(20(13-18(15)31-33)32-11-3-10-28-32)30-22(34)17-4-2-5-21(29-17)24(25,26)27/h2-5,10-14,16,35H,6-9H2,1H3,(H,30,34).
What are the key properties of N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide?
N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide has a molecular weight of 484.48 g/mol, XLogP of 4.75, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(4-hydroxy-4-methylcyclohexyl)-6-pyrazol-1-ylindazol-5-yl]-6-(trifluoromethyl)pyridine-2-carboxamide is sourced from PubChem (CID 154970316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).