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

C21H19FN4OS — CID 42633933

IUPAC2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4nc(-c5ccc(F)cc5)cs4)CC3)nnc12
InChIInChI=1S/C21H19FN4OS/c1-20(2,27)15-4-3-11-26-17(15)24-25-18(26)21(9-10-21)19-23-16(12-28-19)13-5-7-14(22)8-6-13/h3-8,11-12,27H,9-10H2,1-2H3
InChIKeyALKFFSYRSBEXAO-UHFFFAOYSA-N
MW394.48 g/mol
LogP4.30
Rot. Bonds4

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

2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (PubChem CID 42633933) has the molecular formula C21H19FN4OS and a molecular weight of 394.48 g/mol. Its IUPAC name is 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
PubChem CID42633933
Molecular FormulaC21H19FN4OS
Molecular Weight394.48 g/mol
Exact Mass394.13
IUPAC Name2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol
SMILESCC(C)(O)c1cccn2c(C3(c4nc(-c5ccc(F)cc5)cs4)CC3)nnc12
InChIInChI=1S/C21H19FN4OS/c1-20(2,27)15-4-3-11-26-17(15)24-25-18(26)21(9-10-21)19-23-16(12-28-19)13-5-7-14(22)8-6-13/h3-8,11-12,27H,9-10H2,1-2H3
InChIKeyALKFFSYRSBEXAO-UHFFFAOYSA-N
XLogP4.30
TPSA63.31 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 54.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The IUPAC name of 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol (CID 42633933) is 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]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)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The canonical SMILES for 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is CC(C)(O)c1cccn2c(C3(c4nc(-c5ccc(F)cc5)cs4)CC3)nnc12.
What is the InChIKey of 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
The InChIKey is ALKFFSYRSBEXAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19FN4OS/c1-20(2,27)15-4-3-11-26-17(15)24-25-18(26)21(9-10-21)19-23-16(12-28-19)13-5-7-14(22)8-6-13/h3-8,11-12,27H,9-10H2,1-2H3.
What are the key properties of 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol?
2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol has a molecular weight of 394.48 g/mol, XLogP of 4.30, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[1-[4-(4-fluorophenyl)-1,3-thiazol-2-yl]cyclopropyl]-[1,2,4]triazolo[4,3-a]pyridin-8-yl]propan-2-ol is sourced from PubChem (CID 42633933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).