5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one

C30H31FN4O2 — CID 174279486

About 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one

5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one (PubChem CID 174279486) has the molecular formula C30H31FN4O2 and a molecular weight of 498.60 g/mol. Its IUPAC name is 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one.

Molecular Properties

• Compound Name: 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one
• PubChem CID: 174279486
• Molecular Formula: C30H31FN4O2
• Molecular Weight: 498.60 g/mol
• Exact Mass: 498.24
• IUPAC Name: 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one
• SMILES: Cc1cnc2cc(C3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3OC3CC3)c2n1
• InChI: InChI=1S/C30H31FN4O2/c1-18-5-3-6-24(31)28(18)21-10-8-20(9-11-21)23-15-25-29(34-19(2)16-33-25)35(30(23)36)17-26-27(7-4-14-32-26)37-22-12-13-22/h3-7,14-16,20-22H,8-13,17H2,1-2H3
• InChIKey: XZXMBGJXEMKWEO-UHFFFAOYSA-N
• XLogP: 5.97
• TPSA: 69.90 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	498.60
LogP ≤ 5	5.97
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one?

The IUPAC name of 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one (CID 174279486) is 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one.

What is the SMILES notation for 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one?

The canonical SMILES for 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one is Cc1cnc2cc(C3CCC(c4c(C)cccc4F)CC3)c(=O)n(Cc3ncccc3OC3CC3)c2n1.

What is the InChIKey of 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one?

The InChIKey is XZXMBGJXEMKWEO-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H31FN4O2/c1-18-5-3-6-24(31)28(18)21-10-8-20(9-11-21)23-15-25-29(34-19(2)16-33-25)35(30(23)36)17-26-27(7-4-14-32-26)37-22-12-13-22/h3-7,14-16,20-22H,8-13,17H2,1-2H3.

What are the key properties of 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one?

5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one has a molecular weight of 498.60 g/mol, XLogP of 5.97, 6 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[(3-cyclopropyloxy-2-pyridinyl)methyl]-7-[4-(2-fluoro-6-methylphenyl)cyclohexyl]-3-methylpyrido[2,3-b]pyrazin-6-one is sourced from PubChem (CID 174279486), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).