6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

C30H32F2N6O3 — CID 177116156

About 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (PubChem CID 177116156) has the molecular formula C30H32F2N6O3 and a molecular weight of 562.62 g/mol. Its IUPAC name is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 177116156
• Molecular Formula: C30H32F2N6O3
• Molecular Weight: 562.62 g/mol
• Exact Mass: 562.25
• IUPAC Name: 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one
• SMILES: C=CC(=O)N1CCN(c2nc(=O)n(C3=C(C)C=CN[C@H]3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1
• InChI: InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,25,33,39H,1,12-13,15H2,2-5H3/t18-,25-/m0/s1
• InChIKey: VGVJZYSQWDOOPQ-BVZFJXPGSA-N
• XLogP: 4.04
• TPSA: 103.59 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	562.62
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one (CID 177116156) is 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is C=CC(=O)N1CCN(c2nc(=O)n(C3=C(C)C=CN[C@H]3C(C)C)c3nc(-c4c(O)cccc4F)c(F)cc23)[C@@H](C)C1.

What is the InChIKey of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is VGVJZYSQWDOOPQ-BVZFJXPGSA-N. The full InChI is InChI=1S/C30H32F2N6O3/c1-6-23(40)36-12-13-37(18(5)15-36)28-19-14-21(32)26(24-20(31)8-7-9-22(24)39)34-29(19)38(30(41)35-28)27-17(4)10-11-33-25(27)16(2)3/h6-11,14,16,18,25,33,39H,1,12-13,15H2,2-5H3/t18-,25-/m0/s1.

What are the key properties of 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one?

6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 562.62 g/mol, XLogP of 4.04, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-fluoro-7-(2-fluoro-6-hydroxyphenyl)-1-[(2S)-4-methyl-2-propan-2-yl-1,2-dihydropyridin-3-yl]-4-[(2S)-2-methyl-4-prop-2-enoylpiperazin-1-yl]pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 177116156), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).