4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

C27H25F2N5S — CID 169013195

About 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine

4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 169013195) has the molecular formula C27H25F2N5S and a molecular weight of 489.60 g/mol. Its IUPAC name is 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

Molecular Properties

• Compound Name: 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 169013195
• Molecular Formula: C27H25F2N5S
• Molecular Weight: 489.60 g/mol
• Exact Mass: 489.18
• IUPAC Name: 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: CSc1nc2c(c(N3Cc4c(F)cncc4C[C@H]3C)n1)CCN(c1cccc3cccc(F)c13)C2
• InChI: InChI=1S/C27H25F2N5S/c1-16-11-18-12-30-13-22(29)20(18)14-34(16)26-19-9-10-33(15-23(19)31-27(32-26)35-2)24-8-4-6-17-5-3-7-21(28)25(17)24/h3-8,12-13,16H,9-11,14-15H2,1-2H3/t16-/m1/s1
• InChIKey: ANQVIDOXLDGKPP-MRXNPFEDSA-N
• XLogP: 5.54
• TPSA: 45.15 Ų
• H-Bond Acceptors: 6
• Rotatable Bonds: 3
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	489.60
LogP ≤ 5	5.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	6

Frequently Asked Questions

What is the IUPAC name of 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The IUPAC name of 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 169013195) is 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine.

What is the SMILES notation for 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The canonical SMILES for 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is CSc1nc2c(c(N3Cc4c(F)cncc4C[C@H]3C)n1)CCN(c1cccc3cccc(F)c13)C2.

What is the InChIKey of 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is ANQVIDOXLDGKPP-MRXNPFEDSA-N. The full InChI is InChI=1S/C27H25F2N5S/c1-16-11-18-12-30-13-22(29)20(18)14-34(16)26-19-9-10-33(15-23(19)31-27(32-26)35-2)24-8-4-6-17-5-3-7-21(28)25(17)24/h3-8,12-13,16H,9-11,14-15H2,1-2H3/t16-/m1/s1.

What are the key properties of 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 489.60 g/mol, XLogP of 5.54, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-methylsulfanyl-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 169013195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).