2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C32H26F4N6O3 — CID 54770145

IUPAC2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3nc(Nc4ccc(C(=O)N5CCOCC5)cc4C(F)(F)F)nn3c2)cc1
InChIInChI=1S/C32H26F4N6O3/c33-24-7-1-20(2-8-24)17-29(43)37-25-9-3-21(4-10-25)23-6-12-28-39-31(40-42(28)19-23)38-27-11-5-22(18-26(27)32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,18-19H,13-17H2,(H,37,43)(H,38,40)
InChIKeyGVHIREQJLZWOQA-UHFFFAOYSA-N
MW618.59 g/mol
LogP5.95
Rot. Bonds7

About 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 54770145) has the molecular formula C32H26F4N6O3 and a molecular weight of 618.59 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID54770145
Molecular FormulaC32H26F4N6O3
Molecular Weight618.59 g/mol
Exact Mass618.20
IUPAC Name2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESO=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3nc(Nc4ccc(C(=O)N5CCOCC5)cc4C(F)(F)F)nn3c2)cc1
InChIInChI=1S/C32H26F4N6O3/c33-24-7-1-20(2-8-24)17-29(43)37-25-9-3-21(4-10-25)23-6-12-28-39-31(40-42(28)19-23)38-27-11-5-22(18-26(27)32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,18-19H,13-17H2,(H,37,43)(H,38,40)
InChIKeyGVHIREQJLZWOQA-UHFFFAOYSA-N
XLogP5.95
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500618.59
LogP ≤ 55.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 54770145) is 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is O=C(Cc1ccc(F)cc1)Nc1ccc(-c2ccc3nc(Nc4ccc(C(=O)N5CCOCC5)cc4C(F)(F)F)nn3c2)cc1.
What is the InChIKey of 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is GVHIREQJLZWOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H26F4N6O3/c33-24-7-1-20(2-8-24)17-29(43)37-25-9-3-21(4-10-25)23-6-12-28-39-31(40-42(28)19-23)38-27-11-5-22(18-26(27)32(34,35)36)30(44)41-13-15-45-16-14-41/h1-12,18-19H,13-17H2,(H,37,43)(H,38,40).
What are the key properties of 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 618.59 g/mol, XLogP of 5.95, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-N-[4-[2-[4-(morpholine-4-carbonyl)-2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 54770145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).