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

C24H22FN3O — CID 25222394

IUPAC2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(-c5ccc(F)cc5)cc4)CC3)nnc12
InChIInChI=1S/C24H22FN3O/c1-23(2,29)20-4-3-15-28-21(20)26-27-22(28)24(13-14-24)18-9-5-16(6-10-18)17-7-11-19(25)12-8-17/h3-12,15,29H,13-14H2,1-2H3
InChIKeyOIBLZYOHQCDKPA-UHFFFAOYSA-N
MW387.46 g/mol
LogP4.84
Rot. Bonds4

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

2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 25222394) has the molecular formula C24H22FN3O and a molecular weight of 387.46 g/mol. Its IUPAC name is 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID25222394
Molecular FormulaC24H22FN3O
Molecular Weight387.46 g/mol
Exact Mass387.17
IUPAC Name2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4ccc(-c5ccc(F)cc5)cc4)CC3)nnc12
InChIInChI=1S/C24H22FN3O/c1-23(2,29)20-4-3-15-28-21(20)26-27-22(28)24(13-14-24)18-9-5-16(6-10-18)17-7-11-19(25)12-8-17/h3-12,15,29H,13-14H2,1-2H3
InChIKeyOIBLZYOHQCDKPA-UHFFFAOYSA-N
XLogP4.84
TPSA50.42 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.46
LogP ≤ 54.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 25222394) is 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.
What is the SMILES notation for 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C3(c4ccc(-c5ccc(F)cc5)cc4)CC3)nnc12.
What is the InChIKey of 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is OIBLZYOHQCDKPA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22FN3O/c1-23(2,29)20-4-3-15-28-21(20)26-27-22(28)24(13-14-24)18-9-5-16(6-10-18)17-7-11-19(25)12-8-17/h3-12,15,29H,13-14H2,1-2H3.
What are the key properties of 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 387.46 g/mol, XLogP of 4.84, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(4-fluorophenyl)phenyl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 25222394), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).