5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C32H34ClFN6O2 — CID 169013116

About 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 169013116) has the molecular formula C32H34ClFN6O2 and a molecular weight of 589.12 g/mol. Its IUPAC name is 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 169013116
• Molecular Formula: C32H34ClFN6O2
• Molecular Weight: 589.12 g/mol
• Exact Mass: 588.24
• IUPAC Name: 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: C[C@@H]1Cc2cncc(F)c2CN1c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(c1cc(O)cc3cccc(Cl)c13)C2
• InChI: InChI=1S/C32H34ClFN6O2/c1-19-11-21-14-35-15-27(34)25(21)16-40(19)31-24-8-10-39(29-13-23(41)12-20-5-3-7-26(33)30(20)29)17-28(24)36-32(37-31)42-18-22-6-4-9-38(22)2/h3,5,7,12-15,19,22,41H,4,6,8-11,16-18H2,1-2H3/t19-,22+/m1/s1
• InChIKey: LLBFBCYJAHVPLQ-KNQAVFIVSA-N
• XLogP: 5.51
• TPSA: 77.85 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	589.12
LogP ≤ 5	5.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 169013116) is 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is C[C@@H]1Cc2cncc(F)c2CN1c1nc(OC[C@@H]2CCCN2C)nc2c1CCN(c1cc(O)cc3cccc(Cl)c13)C2.

What is the InChIKey of 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is LLBFBCYJAHVPLQ-KNQAVFIVSA-N. The full InChI is InChI=1S/C32H34ClFN6O2/c1-19-11-21-14-35-15-27(34)25(21)16-40(19)31-24-8-10-39(29-13-23(41)12-20-5-3-7-26(33)30(20)29)17-28(24)36-32(37-31)42-18-22-6-4-9-38(22)2/h3,5,7,12-15,19,22,41H,4,6,8-11,16-18H2,1-2H3/t19-,22+/m1/s1.

What are the key properties of 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 589.12 g/mol, XLogP of 5.51, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 5-chloro-4-[4-[(3R)-8-fluoro-3-methyl-3,4-dihydro-1H-2,6-naphthyridin-2-yl]-2-[[(2S)-1-methylpyrrolidin-2-yl]methoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 169013116), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).