4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

C27H28FN3O3 — CID 153102370

About 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol

4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (PubChem CID 153102370) has the molecular formula C27H28FN3O3 and a molecular weight of 461.54 g/mol. Its IUPAC name is 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

Molecular Properties

• Compound Name: 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• PubChem CID: 153102370
• Molecular Formula: C27H28FN3O3
• Molecular Weight: 461.54 g/mol
• Exact Mass: 461.21
• IUPAC Name: 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol
• SMILES: COc1c(Nc2ccnc3c2CCC3O)ccc(CCCc2c[nH]c3c(OC)cccc23)c1F
• InChI: InChI=1S/C27H28FN3O3/c1-33-23-8-4-7-18-17(15-30-26(18)23)6-3-5-16-9-11-21(27(34-2)24(16)28)31-20-13-14-29-25-19(20)10-12-22(25)32/h4,7-9,11,13-15,22,30,32H,3,5-6,10,12H2,1-2H3,(H,29,31)
• InChIKey: VRHWPBPWKVMEAU-UHFFFAOYSA-N
• XLogP: 5.62
• TPSA: 79.40 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 5
• Rotatable Bonds: 8
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	461.54
LogP ≤ 5	5.62
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	5

Frequently Asked Questions

What is the IUPAC name of 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The IUPAC name of 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol (CID 153102370) is 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol.

What is the SMILES notation for 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The canonical SMILES for 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is COc1c(Nc2ccnc3c2CCC3O)ccc(CCCc2c[nH]c3c(OC)cccc23)c1F.

What is the InChIKey of 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

The InChIKey is VRHWPBPWKVMEAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28FN3O3/c1-33-23-8-4-7-18-17(15-30-26(18)23)6-3-5-16-9-11-21(27(34-2)24(16)28)31-20-13-14-29-25-19(20)10-12-22(25)32/h4,7-9,11,13-15,22,30,32H,3,5-6,10,12H2,1-2H3,(H,29,31).

What are the key properties of 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol?

4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol has a molecular weight of 461.54 g/mol, XLogP of 5.62, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[3-fluoro-2-methoxy-4-[3-(7-methoxy-1H-indol-3-yl)propyl]anilino]-6,7-dihydro-5H-cyclopenta[b]pyridin-7-ol is sourced from PubChem (CID 153102370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).