6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C32H34F2N6O2 — CID 155344925

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 155344925) has the molecular formula C32H34F2N6O2 and a molecular weight of 572.66 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 155344925
• Molecular Formula: C32H34F2N6O2
• Molecular Weight: 572.66 g/mol
• Exact Mass: 572.27
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=C1CCC2CN(c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)cc34)CCN2C1C
• InChI: InChI=1S/C32H34F2N6O2/c1-17(2)27-29(19(4)11-12-35-27)40-31-22(15-24(34)28(36-31)26-23(33)7-6-8-25(26)41)30(37-32(40)42)38-13-14-39-20(5)18(3)9-10-21(39)16-38/h6-8,11-12,15,17,20-21,41H,3,9-10,13-14,16H2,1-2,4-5H3
• InChIKey: OWYFUZTYPWSHMY-UHFFFAOYSA-N
• XLogP: 5.49
• TPSA: 87.38 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	572.66
LogP ≤ 5	5.49
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 155344925) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is C=C1CCC2CN(c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)cc34)CCN2C1C.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is OWYFUZTYPWSHMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H34F2N6O2/c1-17(2)27-29(19(4)11-12-35-27)40-31-22(15-24(34)28(36-31)26-23(33)7-6-8-25(26)41)30(37-32(40)42)38-13-14-39-20(5)18(3)9-10-21(39)16-38/h6-8,11-12,15,17,20-21,41H,3,9-10,13-14,16H2,1-2,4-5H3.

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 572.66 g/mol, XLogP of 5.49, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-(6-methyl-7-methylidene-3,4,6,8,9,9a-hexahydro-1H-pyrido[1,2-a]pyrazin-2-yl)-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 155344925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).