7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

C28H31F2N7O — CID 167218290

About 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one

7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (PubChem CID 167218290) has the molecular formula C28H31F2N7O and a molecular weight of 519.60 g/mol. Its IUPAC name is 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

Molecular Properties

• Compound Name: 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• PubChem CID: 167218290
• Molecular Formula: C28H31F2N7O
• Molecular Weight: 519.60 g/mol
• Exact Mass: 519.26
• IUPAC Name: 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one
• SMILES: Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C)[C@H](C)C2)c2cc(F)c(-c3c(N)cccc3F)nc21
• InChI: InChI=1S/C28H31F2N7O/c1-15(2)23-25(16(3)9-10-32-23)37-27-18(26(34-28(37)38)36-12-11-35(5)17(4)14-36)13-20(30)24(33-27)22-19(29)7-6-8-21(22)31/h6-10,13,15,17H,11-12,14,31H2,1-5H3/t17-/m1/s1
• InChIKey: GIFYSGIONSCTPE-QGZVFWFLSA-N
• XLogP: 4.28
• TPSA: 93.17 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 4
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	519.60
LogP ≤ 5	4.28
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The IUPAC name of 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one (CID 167218290) is 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one.

What is the SMILES notation for 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The canonical SMILES for 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is Cc1ccnc(C(C)C)c1-n1c(=O)nc(N2CCN(C)[C@H](C)C2)c2cc(F)c(-c3c(N)cccc3F)nc21.

What is the InChIKey of 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

The InChIKey is GIFYSGIONSCTPE-QGZVFWFLSA-N. The full InChI is InChI=1S/C28H31F2N7O/c1-15(2)23-25(16(3)9-10-32-23)37-27-18(26(34-28(37)38)36-12-11-35(5)17(4)14-36)13-20(30)24(33-27)22-19(29)7-6-8-21(22)31/h6-10,13,15,17H,11-12,14,31H2,1-5H3/t17-/m1/s1.

What are the key properties of 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one?

7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one has a molecular weight of 519.60 g/mol, XLogP of 4.28, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(2-amino-6-fluorophenyl)-4-[(3R)-3,4-dimethylpiperazin-1-yl]-6-fluoro-1-(4-methyl-2-propan-2-yl-3-pyridinyl)pyrido[2,3-d]pyrimidin-2-one is sourced from PubChem (CID 167218290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).