6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

C32H30ClFN6O — CID 89474073

About 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one

6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (PubChem CID 89474073) has the molecular formula C32H30ClFN6O and a molecular weight of 569.08 g/mol. Its IUPAC name is 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

Molecular Properties

• Compound Name: 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• PubChem CID: 89474073
• Molecular Formula: C32H30ClFN6O
• Molecular Weight: 569.08 g/mol
• Exact Mass: 568.22
• IUPAC Name: 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one
• SMILES: Cc1ncccc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(C)c2=O)cc1F
• InChI: InChI=1S/C32H30ClFN6O/c1-19-24(5-4-12-35-19)26-16-28(33)25(17-29(26)34)27-15-22-18-36-32(38-30(22)40(3)31(27)41)37-23-8-6-20(7-9-23)21-10-13-39(2)14-11-21/h4-9,12,15-18,21H,10-11,13-14H2,1-3H3,(H,36,37,38)
• InChIKey: GYQQGGPIULQVQA-UHFFFAOYSA-N
• XLogP: 6.71
• TPSA: 75.94 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	569.08
LogP ≤ 5	6.71
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The IUPAC name of 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one (CID 89474073) is 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one.

What is the SMILES notation for 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The canonical SMILES for 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is Cc1ncccc1-c1cc(Cl)c(-c2cc3cnc(Nc4ccc(C5CCN(C)CC5)cc4)nc3n(C)c2=O)cc1F.

What is the InChIKey of 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

The InChIKey is GYQQGGPIULQVQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H30ClFN6O/c1-19-24(5-4-12-35-19)26-16-28(33)25(17-29(26)34)27-15-22-18-36-32(38-30(22)40(3)31(27)41)37-23-8-6-20(7-9-23)21-10-13-39(2)14-11-21/h4-9,12,15-18,21H,10-11,13-14H2,1-3H3,(H,36,37,38).

What are the key properties of 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one?

6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one has a molecular weight of 569.08 g/mol, XLogP of 6.71, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[2-chloro-5-fluoro-4-(2-methyl-3-pyridinyl)phenyl]-8-methyl-2-[4-(1-methylpiperidin-4-yl)anilino]pyrido[2,3-d]pyrimidin-7-one is sourced from PubChem (CID 89474073), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).