4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol

C32H35N5O2 — CID 171552575

About 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol

4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol (PubChem CID 171552575) has the molecular formula C32H35N5O2 and a molecular weight of 521.67 g/mol. Its IUPAC name is 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol.

Molecular Properties

• Compound Name: 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol
• PubChem CID: 171552575
• Molecular Formula: C32H35N5O2
• Molecular Weight: 521.67 g/mol
• Exact Mass: 521.28
• IUPAC Name: 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol
• SMILES: Oc1cc(-c2cnc3c(N4CC5CCC(C4)N5)cc(OCC4(N5CCCC5)CC4)nc3c2)c2ccccc2c1
• InChI: InChI=1S/C32H35N5O2/c38-25-13-21-5-1-2-6-26(21)27(15-25)22-14-28-31(33-17-22)29(36-18-23-7-8-24(19-36)34-23)16-30(35-28)39-20-32(9-10-32)37-11-3-4-12-37/h1-2,5-6,13-17,23-24,34,38H,3-4,7-12,18-20H2
• InChIKey: MTXBALIFYCLLLB-UHFFFAOYSA-N
• XLogP: 5.10
• TPSA: 73.75 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 7
• Rotatable Bonds: 6
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	521.67
LogP ≤ 5	5.10
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

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

The IUPAC name of 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol (CID 171552575) is 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol.

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

The canonical SMILES for 4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol is Oc1cc(-c2cnc3c(N4CC5CCC(C4)N5)cc(OCC4(N5CCCC5)CC4)nc3c2)c2ccccc2c1.

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

The InChIKey is MTXBALIFYCLLLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O2/c38-25-13-21-5-1-2-6-26(21)27(15-25)22-14-28-31(33-17-22)29(36-18-23-7-8-24(19-36)34-23)16-30(35-28)39-20-32(9-10-32)37-11-3-4-12-37/h1-2,5-6,13-17,23-24,34,38H,3-4,7-12,18-20H2.

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

4-[8-(3,8-diazabicyclo[3.2.1]octan-3-yl)-6-[(1-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol has a molecular weight of 521.67 g/mol, XLogP of 5.10, 6 rotatable bonds, 2 hydrogen bond donors, and 7 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-pyrrolidin-1-ylcyclopropyl)methoxy]-1,5-naphthyridin-3-yl]naphthalen-2-ol is sourced from PubChem (CID 171552575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).