6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C31H28F2N6O3 — CID 155344909

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-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-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 155344909) has the molecular formula C31H28F2N6O3 and a molecular weight of 570.60 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-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-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 155344909
• Molecular Formula: C31H28F2N6O3
• Molecular Weight: 570.60 g/mol
• Exact Mass: 570.22
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=C1CCN(C2CN(c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)cc34)C2)C1=C=O
• InChI: InChI=1S/C31H28F2N6O3/c1-16(2)26-28(18(4)8-10-34-26)39-30-20(12-22(33)27(35-30)25-21(32)6-5-7-24(25)41)29(36-31(39)42)37-13-19(14-37)38-11-9-17(3)23(38)15-40/h5-8,10,12,16,19,41H,3,9,11,13-14H2,1-2,4H3
• InChIKey: NFRWOOOZSIZDJJ-UHFFFAOYSA-N
• XLogP: 4.42
• TPSA: 104.45 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	570.60
LogP ≤ 5	4.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-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-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 155344909) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-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-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-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-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is C=C1CCN(C2CN(c3nc(=O)n(-c4c(C)ccnc4C(C)C)c4nc(-c5c(O)cccc5F)c(F)cc34)C2)C1=C=O.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is NFRWOOOZSIZDJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H28F2N6O3/c1-16(2)26-28(18(4)8-10-34-26)39-30-20(12-22(33)27(35-30)25-21(32)6-5-7-24(25)41)29(36-31(39)42)37-13-19(14-37)38-11-9-17(3)23(38)15-40/h5-8,10,12,16,19,41H,3,9,11,13-14H2,1-2,4H3.

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-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-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 570.60 g/mol, XLogP of 4.42, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-4-[3-[3-methylidene-2-(oxomethylidene)pyrrolidin-1-yl]azetidin-1-yl]-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 155344909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).