3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine

C50H52F6N16O5 — CID 157170803

About 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine

3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine (PubChem CID 157170803) has the molecular formula C50H52F6N16O5 and a molecular weight of 1071.06 g/mol. Its IUPAC name is 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine.

Molecular Properties

• Compound Name: 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
• PubChem CID: 157170803
• Molecular Formula: C50H52F6N16O5
• Molecular Weight: 1071.06 g/mol
• Exact Mass: 1070.42
• IUPAC Name: 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine
• SMILES: Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCOCC3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)O)cc1-n1cc(-c2cnn(C)c2C)nn1.Nc1cc(C(F)(F)F)cc(N2CCOCC2)n1
• InChI: InChI=1S/C25H25F3N8O2.C15H15N5O2.C10H12F3N3O/c1-15-4-5-17(10-21(15)36-14-20(32-33-36)19-13-29-34(3)16(19)2)24(37)31-22-11-18(25(26,27)28)12-23(30-22)35-6-8-38-9-7-35;1-9-4-5-11(15(21)22)6-14(9)20-8-13(17-18-20)12-7-16-19(3)10(12)2;11-10(12,13)7-5-8(14)15-9(6-7)16-1-3-17-4-2-16/h4-5,10-14H,6-9H2,1-3H3,(H,30,31,37);4-8H,1-3H3,(H,21,22);5-6H,1-4H2,(H2,14,15)
• InChIKey: ANLCJBBOKFHPIZ-UHFFFAOYSA-N
• XLogP: 7.29
• TPSA: 240.20 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 19
• Rotatable Bonds: 9
• Heavy Atoms: 77
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1071.06
LogP ≤ 5	7.29
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	19

Frequently Asked Questions

What is the IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?

The IUPAC name of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine (CID 157170803) is 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine.

What is the SMILES notation for 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?

The canonical SMILES for 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine is Cc1ccc(C(=O)Nc2cc(C(F)(F)F)cc(N3CCOCC3)n2)cc1-n1cc(-c2cnn(C)c2C)nn1.Cc1ccc(C(=O)O)cc1-n1cc(-c2cnn(C)c2C)nn1.Nc1cc(C(F)(F)F)cc(N2CCOCC2)n1.

What is the InChIKey of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?

The InChIKey is ANLCJBBOKFHPIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25F3N8O2.C15H15N5O2.C10H12F3N3O/c1-15-4-5-17(10-21(15)36-14-20(32-33-36)19-13-29-34(3)16(19)2)24(37)31-22-11-18(25(26,27)28)12-23(30-22)35-6-8-38-9-7-35;1-9-4-5-11(15(21)22)6-14(9)20-8-13(17-18-20)12-7-16-19(3)10(12)2;11-10(12,13)7-5-8(14)15-9(6-7)16-1-3-17-4-2-16/h4-5,10-14H,6-9H2,1-3H3,(H,30,31,37);4-8H,1-3H3,(H,21,22);5-6H,1-4H2,(H2,14,15).

What are the key properties of 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine?

3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine has a molecular weight of 1071.06 g/mol, XLogP of 7.29, 9 rotatable bonds, 3 hydrogen bond donors, and 19 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzoic acid;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[6-morpholin-4-yl-4-(trifluoromethyl)-2-pyridinyl]benzamide;6-morpholin-4-yl-4-(trifluoromethyl)pyridin-2-amine is sourced from PubChem (CID 157170803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).