7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole

C30H31F3N6O — CID 176552597

About 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole

7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole (PubChem CID 176552597) has the molecular formula C30H31F3N6O and a molecular weight of 548.61 g/mol. Its IUPAC name is 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole.

Molecular Properties

• Compound Name: 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole
• PubChem CID: 176552597
• Molecular Formula: C30H31F3N6O
• Molecular Weight: 548.61 g/mol
• Exact Mass: 548.25
• IUPAC Name: 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole
• SMILES: Cc1ccc2c(cnn2C)c1.Cc1cnc2cc(C3CCCCC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1
• InChI: InChI=1S/C21H21F3N4O.C9H10N2/c1-13-11-26-17-10-15(14-6-3-2-4-7-14)20(29)28(19(17)27-13)12-18-16(21(22,23)24)8-5-9-25-18;1-7-3-4-9-8(5-7)6-10-11(9)2/h5,8-11,14H,2-4,6-7,12H2,1H3;3-6H,1-2H3
• InChIKey: IBAFXTGPXVLYKP-UHFFFAOYSA-N
• XLogP: 6.49
• TPSA: 78.49 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 3
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	548.61
LogP ≤ 5	6.49
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole?

The IUPAC name of 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole (CID 176552597) is 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole.

What is the SMILES notation for 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole?

The canonical SMILES for 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole is Cc1ccc2c(cnn2C)c1.Cc1cnc2cc(C3CCCCC3)c(=O)n(Cc3ncccc3C(F)(F)F)c2n1.

What is the InChIKey of 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole?

The InChIKey is IBAFXTGPXVLYKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21F3N4O.C9H10N2/c1-13-11-26-17-10-15(14-6-3-2-4-7-14)20(29)28(19(17)27-13)12-18-16(21(22,23)24)8-5-9-25-18;1-7-3-4-9-8(5-7)6-10-11(9)2/h5,8-11,14H,2-4,6-7,12H2,1H3;3-6H,1-2H3.

What are the key properties of 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole?

7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole has a molecular weight of 548.61 g/mol, XLogP of 6.49, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 7-cyclohexyl-3-methyl-5-[[3-(trifluoromethyl)-2-pyridinyl]methyl]pyrido[2,3-b]pyrazin-6-one;1,5-dimethylindazole is sourced from PubChem (CID 176552597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).