1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone

C25H23F3N6OS — CID 157183899

IUPAC1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
SMILESCn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CC1CCn2nc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C25H23F3N6OS/c1-33-21(17(12-29-33)25-31-20(23(27)28)22(36-25)14-2-3-14)18(35)10-13-8-9-34-19(11-13)30-24(32-34)15-4-6-16(26)7-5-15/h4-7,12-14,23H,2-3,8-11H2,1H3
InChIKeyWDYVFUDZXULINZ-UHFFFAOYSA-N
MW512.56 g/mol
LogP5.59
Rot. Bonds7

About 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone

1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone (PubChem CID 157183899) has the molecular formula C25H23F3N6OS and a molecular weight of 512.56 g/mol. Its IUPAC name is 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone.

Molecular Properties

Compound Name1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
PubChem CID157183899
Molecular FormulaC25H23F3N6OS
Molecular Weight512.56 g/mol
Exact Mass512.16
IUPAC Name1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone
SMILESCn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CC1CCn2nc(-c3ccc(F)cc3)nc2C1
InChIInChI=1S/C25H23F3N6OS/c1-33-21(17(12-29-33)25-31-20(23(27)28)22(36-25)14-2-3-14)18(35)10-13-8-9-34-19(11-13)30-24(32-34)15-4-6-16(26)7-5-15/h4-7,12-14,23H,2-3,8-11H2,1H3
InChIKeyWDYVFUDZXULINZ-UHFFFAOYSA-N
XLogP5.59
TPSA78.49 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500512.56
LogP ≤ 55.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone with MolForge

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Related Compounds

US9777000, Example 2.29
CID 90383082
US9777000, Example 3.6
CID 90383084
US9777000, Example 2.28
CID 90383087
US9777000, Example 5.17
CID 90383090
US9777000, Example 5.28
CID 90383099
US9777000, Example 5.32
CID 90383101
US9777000, Example 3.12
CID 90383106
US9777000, Example 3.15
CID 90383115
US9777000, Example 5.29
CID 90383121
US9777000, Example 5.33
CID 90383138
US9777000, Example 2.2
CID 90383180
US9777000, Example 2.19
CID 90383183

Frequently Asked Questions

What is the IUPAC name of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The IUPAC name of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone (CID 157183899) is 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone.
What is the SMILES notation for 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The canonical SMILES for 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone is Cn1ncc(-c2nc(C(F)F)c(C3CC3)s2)c1C(=O)CC1CCn2nc(-c3ccc(F)cc3)nc2C1.
What is the InChIKey of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
The InChIKey is WDYVFUDZXULINZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6OS/c1-33-21(17(12-29-33)25-31-20(23(27)28)22(36-25)14-2-3-14)18(35)10-13-8-9-34-19(11-13)30-24(32-34)15-4-6-16(26)7-5-15/h4-7,12-14,23H,2-3,8-11H2,1H3.
What are the key properties of 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone?
1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone has a molecular weight of 512.56 g/mol, XLogP of 5.59, 7 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[5-cyclopropyl-4-(difluoromethyl)-1,3-thiazol-2-yl]-1-methylpyrazol-5-yl]-2-[2-(4-fluorophenyl)-5,6,7,8-tetrahydro-[1,2,4]triazolo[1,5-a]pyridin-7-yl]ethanone is sourced from PubChem (CID 157183899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).