4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

C25H31N5O3 — CID 159079640

About 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol

4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (PubChem CID 159079640) has the molecular formula C25H31N5O3 and a molecular weight of 449.56 g/mol. Its IUPAC name is 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• PubChem CID: 159079640
• Molecular Formula: C25H31N5O3
• Molecular Weight: 449.56 g/mol
• Exact Mass: 449.24
• IUPAC Name: 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol
• SMILES: CO[C@@H]1CCCN(CCOc2nc(N)c3c(n2)CN(c2cc(O)cc4ccccc24)CC3)C1
• InChI: InChI=1S/C25H31N5O3/c1-32-19-6-4-9-29(15-19)11-12-33-25-27-22-16-30(10-8-21(22)24(26)28-25)23-14-18(31)13-17-5-2-3-7-20(17)23/h2-3,5,7,13-14,19,31H,4,6,8-12,15-16H2,1H3,(H2,26,27,28)/t19-/m1/s1
• InChIKey: HQKPJYPMOZYUAN-LJQANCHMSA-N
• XLogP: 2.97
• TPSA: 96.97 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 33
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	449.56
LogP ≤ 5	2.97
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The IUPAC name of 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol (CID 159079640) is 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol.

What is the SMILES notation for 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The canonical SMILES for 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is CO[C@@H]1CCCN(CCOc2nc(N)c3c(n2)CN(c2cc(O)cc4ccccc24)CC3)C1.

What is the InChIKey of 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

The InChIKey is HQKPJYPMOZYUAN-LJQANCHMSA-N. The full InChI is InChI=1S/C25H31N5O3/c1-32-19-6-4-9-29(15-19)11-12-33-25-27-22-16-30(10-8-21(22)24(26)28-25)23-14-18(31)13-17-5-2-3-7-20(17)23/h2-3,5,7,13-14,19,31H,4,6,8-12,15-16H2,1H3,(H2,26,27,28)/t19-/m1/s1.

What are the key properties of 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol?

4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol has a molecular weight of 449.56 g/mol, XLogP of 2.97, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[4-amino-2-[2-[(3R)-3-methoxypiperidin-1-yl]ethoxy]-6,8-dihydro-5H-pyrido[3,4-d]pyrimidin-7-yl]naphthalen-2-ol is sourced from PubChem (CID 159079640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).