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

C25H23F3N6O2 — CID 53234743

IUPAC2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2ccc3nc(Nc4ccccc4C(F)(F)F)nn3c2)cc1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)20-3-1-2-4-21(20)30-24-31-22-10-7-18(15-34(22)32-24)17-5-8-19(9-6-17)29-23(35)16-33-11-13-36-14-12-33/h1-10,15H,11-14,16H2,(H,29,35)(H,30,32)
InChIKeyFVWQHZRRDHTGQY-UHFFFAOYSA-N
MW496.49 g/mol
LogP4.43
Rot. Bonds6

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

2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 53234743) has the molecular formula C25H23F3N6O2 and a molecular weight of 496.49 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID53234743
Molecular FormulaC25H23F3N6O2
Molecular Weight496.49 g/mol
Exact Mass496.18
IUPAC Name2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2ccc3nc(Nc4ccccc4C(F)(F)F)nn3c2)cc1
InChIInChI=1S/C25H23F3N6O2/c26-25(27,28)20-3-1-2-4-21(20)30-24-31-22-10-7-18(15-34(22)32-24)17-5-8-19(9-6-17)29-23(35)16-33-11-13-36-14-12-33/h1-10,15H,11-14,16H2,(H,29,35)(H,30,32)
InChIKeyFVWQHZRRDHTGQY-UHFFFAOYSA-N
XLogP4.43
TPSA83.79 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500496.49
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclopropyl-3-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]propan-2-one
CID 159087797
1-[3-[2-(2-methoxyanilino)-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]-3-(2-morpholin-4-ylethyl)urea
CID 53234984
2-[13-(2-anilino-2-oxoethyl)-1,4,10-trioxa-7,13-diazacyclopentadec-7-yl]-N-phenylacetamide
CID 649229
N-[4-[[2-(2-tert-butylphenoxy)acetyl]amino]phenyl]-2-morpholin-4-ylacetamide
CID 24620528
2-[ethyl-[2-oxo-2-[2-(trifluoromethyl)anilino]ethyl]amino]-N-[4-(morpholin-4-ylmethyl)phenyl]acetamide
CID 26623369
2-(azocan-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
CID 8583773
N-tert-butyl-3-methoxy-4-[[6-[4-(3,3,3-trifluoropropanoylamino)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 67216044
N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]-2,2-diphenylacetamide
CID 16612010
2-(2-methylphenyl)-N-[4-[(2-morpholin-4-ylacetyl)amino]phenyl]acetamide
CID 51327232
N-[4-(2-amino-[1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]-3,3,3-trifluoropropanamide
CID 67216149
N-(4-iodophenyl)-2-morpholin-4-ylacetamide
CID 677187
ethane;N-(4-methylphenyl)-2-morpholin-4-ylacetamide
CID 142923820

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 53234743) is 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(-c2ccc3nc(Nc4ccccc4C(F)(F)F)nn3c2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is FVWQHZRRDHTGQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F3N6O2/c26-25(27,28)20-3-1-2-4-21(20)30-24-31-22-10-7-18(15-34(22)32-24)17-5-8-19(9-6-17)29-23(35)16-33-11-13-36-14-12-33/h1-10,15H,11-14,16H2,(H,29,35)(H,30,32).
What are the key properties of 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 496.49 g/mol, XLogP of 4.43, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[2-[2-(trifluoromethyl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 53234743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).