5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide

C26H26F5N7O2 — CID 176697998

About 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide

5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide (PubChem CID 176697998) has the molecular formula C26H26F5N7O2 and a molecular weight of 563.53 g/mol. Its IUPAC name is 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide.

Molecular Properties

• Compound Name: 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
• PubChem CID: 176697998
• Molecular Formula: C26H26F5N7O2
• Molecular Weight: 563.53 g/mol
• Exact Mass: 563.21
• IUPAC Name: 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide
• SMILES: Cc1nc2cc(-c3cc(NC(=O)c4cnn(C(C)(C)C(F)(F)F)c4F)c(F)cc3C)cc(N3CCOCC3)n2n1
• InChI: InChI=1S/C26H26F5N7O2/c1-14-9-19(27)20(34-24(39)18-13-32-38(23(18)28)25(3,4)26(29,30)31)12-17(14)16-10-21-33-15(2)35-37(21)22(11-16)36-5-7-40-8-6-36/h9-13H,5-8H2,1-4H3,(H,34,39)
• InChIKey: CNAZSJNIDGURIQ-UHFFFAOYSA-N
• XLogP: 4.87
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	563.53
LogP ≤ 5	4.87
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide?

The IUPAC name of 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide (CID 176697998) is 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide.

What is the SMILES notation for 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide?

The canonical SMILES for 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide is Cc1nc2cc(-c3cc(NC(=O)c4cnn(C(C)(C)C(F)(F)F)c4F)c(F)cc3C)cc(N3CCOCC3)n2n1.

What is the InChIKey of 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide?

The InChIKey is CNAZSJNIDGURIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26F5N7O2/c1-14-9-19(27)20(34-24(39)18-13-32-38(23(18)28)25(3,4)26(29,30)31)12-17(14)16-10-21-33-15(2)35-37(21)22(11-16)36-5-7-40-8-6-36/h9-13H,5-8H2,1-4H3,(H,34,39).

What are the key properties of 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide?

5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide has a molecular weight of 563.53 g/mol, XLogP of 4.87, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-fluoro-N-[2-fluoro-4-methyl-5-(2-methyl-5-morpholin-4-yl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]-1-(1,1,1-trifluoro-2-methylpropan-2-yl)pyrazole-4-carboxamide is sourced from PubChem (CID 176697998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).