2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

C24H24FN3O — CID 42633572

IUPAC2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C(C)(C)c3ccc(-c4ccc(F)cc4)cc3)nnc12
InChIInChI=1S/C24H24FN3O/c1-23(2,18-11-7-16(8-12-18)17-9-13-19(25)14-10-17)22-27-26-21-20(24(3,4)29)6-5-15-28(21)22/h5-15,29H,1-4H3
InChIKeyQYKACDJYJFCNEA-UHFFFAOYSA-N
MW389.47 g/mol
LogP5.09
Rot. Bonds4

About 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol

2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 42633572) has the molecular formula C24H24FN3O and a molecular weight of 389.47 g/mol. Its IUPAC name is 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID42633572
Molecular FormulaC24H24FN3O
Molecular Weight389.47 g/mol
Exact Mass389.19
IUPAC Name2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C(C)(C)c3ccc(-c4ccc(F)cc4)cc3)nnc12
InChIInChI=1S/C24H24FN3O/c1-23(2,18-11-7-16(8-12-18)17-9-13-19(25)14-10-17)22-27-26-21-20(24(3,4)29)6-5-15-28(21)22/h5-15,29H,1-4H3
InChIKeyQYKACDJYJFCNEA-UHFFFAOYSA-N
XLogP5.09
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500389.47
LogP ≤ 55.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 42633572) is 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C(C)(C)c3ccc(-c4ccc(F)cc4)cc3)nnc12.
What is the InChIKey of 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is QYKACDJYJFCNEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN3O/c1-23(2,18-11-7-16(8-12-18)17-9-13-19(25)14-10-17)22-27-26-21-20(24(3,4)29)6-5-15-28(21)22/h5-15,29H,1-4H3.
What are the key properties of 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 389.47 g/mol, XLogP of 5.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[2-[4-(4-fluorophenyl)phenyl]propan-2-yl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 42633572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).