2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

C24H22F3N7O — CID 89251779

IUPAC2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)cn3ncnc23)n1
InChIInChI=1S/C24H22F3N7O/c1-15-5-4-10-33(15)21-9-3-8-20(32-21)31-19-12-17(13-34-22(19)28-14-29-34)16-6-2-7-18(11-16)30-23(35)24(25,26)27/h2-3,6-9,11-15H,4-5,10H2,1H3,(H,30,35)(H,31,32)
InChIKeyOTQQVOPQBAJXCS-UHFFFAOYSA-N
MW481.48 g/mol
LogP5.02
Rot. Bonds5

About 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide

2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (PubChem CID 89251779) has the molecular formula C24H22F3N7O and a molecular weight of 481.48 g/mol. Its IUPAC name is 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.

Molecular Properties

Compound Name2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
PubChem CID89251779
Molecular FormulaC24H22F3N7O
Molecular Weight481.48 g/mol
Exact Mass481.18
IUPAC Name2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide
SMILESCC1CCCN1c1cccc(Nc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)cn3ncnc23)n1
InChIInChI=1S/C24H22F3N7O/c1-15-5-4-10-33(15)21-9-3-8-20(32-21)31-19-12-17(13-34-22(19)28-14-29-34)16-6-2-7-18(11-16)30-23(35)24(25,26)27/h2-3,6-9,11-15H,4-5,10H2,1H3,(H,30,35)(H,31,32)
InChIKeyOTQQVOPQBAJXCS-UHFFFAOYSA-N
XLogP5.02
TPSA87.45 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.48
LogP ≤ 55.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The IUPAC name of 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide (CID 89251779) is 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide.
What is the SMILES notation for 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The canonical SMILES for 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is CC1CCCN1c1cccc(Nc2cc(-c3cccc(NC(=O)C(F)(F)F)c3)cn3ncnc23)n1.
What is the InChIKey of 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
The InChIKey is OTQQVOPQBAJXCS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22F3N7O/c1-15-5-4-10-33(15)21-9-3-8-20(32-21)31-19-12-17(13-34-22(19)28-14-29-34)16-6-2-7-18(11-16)30-23(35)24(25,26)27/h2-3,6-9,11-15H,4-5,10H2,1H3,(H,30,35)(H,31,32).
What are the key properties of 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide?
2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide has a molecular weight of 481.48 g/mol, XLogP of 5.02, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2,2-trifluoro-N-[3-[8-[[6-(2-methylpyrrolidin-1-yl)-2-pyridinyl]amino]-[1,2,4]triazolo[1,5-a]pyridin-6-yl]phenyl]acetamide is sourced from PubChem (CID 89251779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).