4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol

C34H40N6O2 — CID 171552472

About 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol

4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol (PubChem CID 171552472) has the molecular formula C34H40N6O2 and a molecular weight of 564.73 g/mol. Its IUPAC name is 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol
• PubChem CID: 171552472
• Molecular Formula: C34H40N6O2
• Molecular Weight: 564.73 g/mol
• Exact Mass: 564.32
• IUPAC Name: 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol
• SMILES: Cc1cccc2cc(O)cc(-c3cnc4c(N5CC6CCC(C5)N6)cc(OCC5(N6CCN(C)CC6)CC5)nc4c3)c12
• InChI: InChI=1S/C34H40N6O2/c1-22-4-3-5-23-14-27(41)16-28(32(22)23)24-15-29-33(35-18-24)30(39-19-25-6-7-26(20-39)36-25)17-31(37-29)42-21-34(8-9-34)40-12-10-38(2)11-13-40/h3-5,14-18,25-26,36,41H,6-13,19-21H2,1-2H3
• InChIKey: VBHSYIFFZUPRNW-UHFFFAOYSA-N
• XLogP: 4.56
• TPSA: 76.99 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	564.73
LogP ≤ 5	4.56
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol?

The IUPAC name of 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol (CID 171552472) is 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol.

What is the SMILES notation for 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol?

The canonical SMILES for 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol is Cc1cccc2cc(O)cc(-c3cnc4c(N5CC6CCC(C5)N6)cc(OCC5(N6CCN(C)CC6)CC5)nc4c3)c12.

What is the InChIKey of 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol?

The InChIKey is VBHSYIFFZUPRNW-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H40N6O2/c1-22-4-3-5-23-14-27(41)16-28(32(22)23)24-15-29-33(35-18-24)30(39-19-25-6-7-26(20-39)36-25)17-31(37-29)42-21-34(8-9-34)40-12-10-38(2)11-13-40/h3-5,14-18,25-26,36,41H,6-13,19-21H2,1-2H3.

What are the key properties of 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol?

4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol has a molecular weight of 564.73 g/mol, XLogP of 4.56, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[[1-(4-methylpiperazin-1-yl)cyclopropyl]methoxy]-1,5-naphthyridin-3-yl]-5-methylnaphthalen-2-ol is sourced from PubChem (CID 171552472), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).