3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C51H49F4N11O3 — CID 143929849

About 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 143929849) has the molecular formula C51H49F4N11O3 and a molecular weight of 940.02 g/mol. Its IUPAC name is 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• PubChem CID: 143929849
• Molecular Formula: C51H49F4N11O3
• Molecular Weight: 940.02 g/mol
• Exact Mass: 939.40
• IUPAC Name: 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
• SMILES: CC.Cc1ccc(C(N)=O)cc1NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(Nc1nc2cccc(-c3ccc(CNc4cc(C(F)(F)F)ccc4F)cc3)n2n1)C1CC1
• InChI: InChI=1S/C25H24N6O2.C24H19F4N5O.C2H6/c1-15-5-8-19(23(26)32)13-20(15)27-14-16-6-9-17(10-7-16)21-3-2-4-22-28-25(30-31(21)22)29-24(33)18-11-12-18;25-18-11-10-17(24(26,27)28)12-19(18)29-13-14-4-6-15(7-5-14)20-2-1-3-21-30-23(32-33(20)21)31-22(34)16-8-9-16;1-2/h2-10,13,18,27H,11-12,14H2,1H3,(H2,26,32)(H,29,30,33);1-7,10-12,16,29H,8-9,13H2,(H,31,32,34);1-2H3
• InChIKey: UQJUTERKZRTZRH-UHFFFAOYSA-N
• XLogP: 10.31
• TPSA: 185.73 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 11
• Rotatable Bonds: 13
• Heavy Atoms: 69
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	940.02
LogP ≤ 5	10.31
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

What is the IUPAC name of 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The IUPAC name of 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 143929849) is 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

What is the SMILES notation for 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The canonical SMILES for 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is CC.Cc1ccc(C(N)=O)cc1NCc1ccc(-c2cccc3nc(NC(=O)C4CC4)nn23)cc1.O=C(Nc1nc2cccc(-c3ccc(CNc4cc(C(F)(F)F)ccc4F)cc3)n2n1)C1CC1.

What is the InChIKey of 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

The InChIKey is UQJUTERKZRTZRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2.C24H19F4N5O.C2H6/c1-15-5-8-19(23(26)32)13-20(15)27-14-16-6-9-17(10-7-16)21-3-2-4-22-28-25(30-31(21)22)29-24(33)18-11-12-18;25-18-11-10-17(24(26,27)28)12-19(18)29-13-14-4-6-15(7-5-14)20-2-1-3-21-30-23(32-33(20)21)31-22(34)16-8-9-16;1-2/h2-10,13,18,27H,11-12,14H2,1H3,(H2,26,32)(H,29,30,33);1-7,10-12,16,29H,8-9,13H2,(H,31,32,34);1-2H3.

What are the key properties of 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?

3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 940.02 g/mol, XLogP of 10.31, 13 rotatable bonds, 5 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[4-[2-(cyclopropanecarbonylamino)-[1,2,4]triazolo[1,5-a]pyridin-5-yl]phenyl]methylamino]-4-methylbenzamide;ethane;N-[5-[4-[[2-fluoro-5-(trifluoromethyl)anilino]methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 143929849), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).