2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol

C24H25F3N6O — CID 155449510

IUPAC2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1-c1n[nH]c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C24H25F3N6O/c1-23(2,34)17-12-19-14(13-33(32-19)15-7-4-3-5-8-15)11-16(17)21-29-22(31-30-21)18-9-6-10-20(28-18)24(25,26)27/h6,9-13,15,34H,3-5,7-8H2,1-2H3,(H,29,30,31)
InChIKeyFOMIZMPOJVGOQP-UHFFFAOYSA-N
MW470.50 g/mol
LogP5.63
Rot. Bonds4

About 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol

2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol (PubChem CID 155449510) has the molecular formula C24H25F3N6O and a molecular weight of 470.50 g/mol. Its IUPAC name is 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol
PubChem CID155449510
Molecular FormulaC24H25F3N6O
Molecular Weight470.50 g/mol
Exact Mass470.20
IUPAC Name2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol
SMILESCC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1-c1n[nH]c(-c2cccc(C(F)(F)F)n2)n1
InChIInChI=1S/C24H25F3N6O/c1-23(2,34)17-12-19-14(13-33(32-19)15-7-4-3-5-8-15)11-16(17)21-29-22(31-30-21)18-9-6-10-20(28-18)24(25,26)27/h6,9-13,15,34H,3-5,7-8H2,1-2H3,(H,29,30,31)
InChIKeyFOMIZMPOJVGOQP-UHFFFAOYSA-N
XLogP5.63
TPSA92.51 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.50
LogP ≤ 55.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol?
The IUPAC name of 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol (CID 155449510) is 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol.
What is the SMILES notation for 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol?
The canonical SMILES for 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol is CC(C)(O)c1cc2nn(C3CCCCC3)cc2cc1-c1n[nH]c(-c2cccc(C(F)(F)F)n2)n1.
What is the InChIKey of 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol?
The InChIKey is FOMIZMPOJVGOQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25F3N6O/c1-23(2,34)17-12-19-14(13-33(32-19)15-7-4-3-5-8-15)11-16(17)21-29-22(31-30-21)18-9-6-10-20(28-18)24(25,26)27/h6,9-13,15,34H,3-5,7-8H2,1-2H3,(H,29,30,31).
What are the key properties of 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol?
2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol has a molecular weight of 470.50 g/mol, XLogP of 5.63, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-cyclohexyl-5-[5-[6-(trifluoromethyl)-2-pyridinyl]-1H-1,2,4-triazol-3-yl]indazol-6-yl]propan-2-ol is sourced from PubChem (CID 155449510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).