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

C32H34F2N6O — CID 169013111

About 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (PubChem CID 169013111) has the molecular formula C32H34F2N6O and a molecular weight of 556.66 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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• PubChem CID: 169013111
• Molecular Formula: C32H34F2N6O
• Molecular Weight: 556.66 g/mol
• Exact Mass: 556.28
• IUPAC Name: 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine
• SMILES: C[C@@H]1Cc2cncc(F)c2CN1c1nc(OC[C@H]2CCCN2C)nc2c1CCN(c1cccc3cccc(F)c13)C2
• InChI: InChI=1S/C32H34F2N6O/c1-20-14-22-15-35-16-27(34)25(22)17-40(20)31-24-11-13-39(29-10-4-7-21-6-3-9-26(33)30(21)29)18-28(24)36-32(37-31)41-19-23-8-5-12-38(23)2/h3-4,6-7,9-10,15-16,20,23H,5,8,11-14,17-19H2,1-2H3/t20-,23-/m1/s1
• InChIKey: OTKQZUBFSKLSRD-NFBKMPQASA-N
• XLogP: 5.29
• TPSA: 57.62 Ų
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 41
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	556.66
LogP ≤ 5	5.29
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	7

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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine (CID 169013111) is 4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-7-(8-fluoronaphthalen-1-yl)-2-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is C[C@@H]1Cc2cncc(F)c2CN1c1nc(OC[C@H]2CCCN2C)nc2c1CCN(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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine?

The InChIKey is OTKQZUBFSKLSRD-NFBKMPQASA-N. The full InChI is InChI=1S/C32H34F2N6O/c1-20-14-22-15-35-16-27(34)25(22)17-40(20)31-24-11-13-39(29-10-4-7-21-6-3-9-26(33)30(21)29)18-28(24)36-32(37-31)41-19-23-8-5-12-38(23)2/h3-4,6-7,9-10,15-16,20,23H,5,8,11-14,17-19H2,1-2H3/t20-,23-/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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine has a molecular weight of 556.66 g/mol, XLogP of 5.29, 5 rotatable bonds, 0 hydrogen bond donors, and 7 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-[[(2R)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidine is sourced from PubChem (CID 169013111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).