6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one

C38H40N14O2 — CID 67293601

About 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one

6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one (PubChem CID 67293601) has the molecular formula C38H40N14O2 and a molecular weight of 724.83 g/mol. Its IUPAC name is 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one.

Molecular Properties

• Compound Name: 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one
• PubChem CID: 67293601
• Molecular Formula: C38H40N14O2
• Molecular Weight: 724.83 g/mol
• Exact Mass: 724.35
• IUPAC Name: 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one
• SMILES: CN(C)c1cccc2nc(Nc3ccc4c(c3)N(C3(O)CCC(Nc5cccc6nc(Nc7ccc(-c8ncn[nH]8)cc7)nn56)CC3)C(=O)C4(C)C)nn12
• InChI: InChI=1S/C38H40N14O2/c1-37(2)27-16-15-26(43-36-45-31-9-6-10-32(49(3)4)52(31)48-36)21-28(27)50(34(37)53)38(54)19-17-25(18-20-38)41-29-7-5-8-30-44-35(47-51(29)30)42-24-13-11-23(12-14-24)33-39-22-40-46-33/h5-16,21-22,25,41,54H,17-20H2,1-4H3,(H,42,47)(H,43,48)(H,39,40,46)
• InChIKey: YLYCYGUWHUXSEQ-UHFFFAOYSA-N
• XLogP: 5.48
• TPSA: 181.82 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 14
• Rotatable Bonds: 9
• Heavy Atoms: 54
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	724.83
LogP ≤ 5	5.48
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	14

Frequently Asked Questions

What is the IUPAC name of 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one?

The IUPAC name of 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one (CID 67293601) is 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one.

What is the SMILES notation for 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one?

The canonical SMILES for 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one is CN(C)c1cccc2nc(Nc3ccc4c(c3)N(C3(O)CCC(Nc5cccc6nc(Nc7ccc(-c8ncn[nH]8)cc7)nn56)CC3)C(=O)C4(C)C)nn12.

What is the InChIKey of 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one?

The InChIKey is YLYCYGUWHUXSEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H40N14O2/c1-37(2)27-16-15-26(43-36-45-31-9-6-10-32(49(3)4)52(31)48-36)21-28(27)50(34(37)53)38(54)19-17-25(18-20-38)41-29-7-5-8-30-44-35(47-51(29)30)42-24-13-11-23(12-14-24)33-39-22-40-46-33/h5-16,21-22,25,41,54H,17-20H2,1-4H3,(H,42,47)(H,43,48)(H,39,40,46).

What are the key properties of 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one?

6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one has a molecular weight of 724.83 g/mol, XLogP of 5.48, 9 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[5-(dimethylamino)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-1-[1-hydroxy-4-[[2-[4-(1H-1,2,4-triazol-5-yl)anilino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]amino]cyclohexyl]-3,3-dimethylindol-2-one is sourced from PubChem (CID 67293601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).