7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline

C68H68F5N13 — CID 167609281

About 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline

7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline (PubChem CID 167609281) has the molecular formula C68H68F5N13 and a molecular weight of 1162.37 g/mol. Its IUPAC name is 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline.

Molecular Properties

• Compound Name: 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline
• PubChem CID: 167609281
• Molecular Formula: C68H68F5N13
• Molecular Weight: 1162.37 g/mol
• Exact Mass: 1161.56
• IUPAC Name: 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline
• SMILES: CC1=CC2NC(c3cc(F)c4cc(C5CCNCC5)nnc4c3)=CC2C(C)=N1.CCN1CCC(c2cc(F)c3nc(-c4cc(F)c5nn(C)cc5c4)ccc3c2)CC1.Cn1cc2cc(-c3ccc4cc(C5CCNCC5)cc(F)c4n3)cc(F)c2n1
• InChI: InChI=1S/C24H24F2N4.C22H20F2N4.C22H24FN5/c1-3-30-8-6-15(7-9-30)17-10-16-4-5-22(27-23(16)20(25)12-17)18-11-19-14-29(2)28-24(19)21(26)13-18;1-28-12-17-9-16(11-19(24)22(17)27-28)20-3-2-14-8-15(10-18(23)21(14)26-20)13-4-6-25-7-5-13;1-12-7-21-16(13(2)25-12)10-19(26-21)15-8-18(23)17-11-20(27-28-22(17)9-15)14-3-5-24-6-4-14/h4-5,10-15H,3,6-9H2,1-2H3;2-3,8-13,25H,4-7H2,1H3;7-11,14,16,21,24,26H,3-6H2,1-2H3
• InChIKey: KUSXKMOEFGQZMC-UHFFFAOYSA-N
• XLogP: 13.34
• TPSA: 138.89 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 13
• Rotatable Bonds: 7
• Heavy Atoms: 86
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1162.37
LogP ≤ 5	13.34
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	13

Frequently Asked Questions

What is the IUPAC name of 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline?

The IUPAC name of 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline (CID 167609281) is 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline.

What is the SMILES notation for 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline?

The canonical SMILES for 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline is CC1=CC2NC(c3cc(F)c4cc(C5CCNCC5)nnc4c3)=CC2C(C)=N1.CCN1CCC(c2cc(F)c3nc(-c4cc(F)c5nn(C)cc5c4)ccc3c2)CC1.Cn1cc2cc(-c3ccc4cc(C5CCNCC5)cc(F)c4n3)cc(F)c2n1.

What is the InChIKey of 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline?

The InChIKey is KUSXKMOEFGQZMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24F2N4.C22H20F2N4.C22H24FN5/c1-3-30-8-6-15(7-9-30)17-10-16-4-5-22(27-23(16)20(25)12-17)18-11-19-14-29(2)28-24(19)21(26)13-18;1-28-12-17-9-16(11-19(24)22(17)27-28)20-3-2-14-8-15(10-18(23)21(14)26-20)13-4-6-25-7-5-13;1-12-7-21-16(13(2)25-12)10-19(26-21)15-8-18(23)17-11-20(27-28-22(17)9-15)14-3-5-24-6-4-14/h4-5,10-15H,3,6-9H2,1-2H3;2-3,8-13,25H,4-7H2,1H3;7-11,14,16,21,24,26H,3-6H2,1-2H3.

What are the key properties of 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline?

7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline has a molecular weight of 1162.37 g/mol, XLogP of 13.34, 7 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(4,6-dimethyl-3a,7a-dihydro-1H-pyrrolo[3,2-c]pyridin-2-yl)-5-fluoro-3-piperidin-4-ylcinnoline;6-(1-ethylpiperidin-4-yl)-8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)quinoline;8-fluoro-2-(7-fluoro-2-methylindazol-5-yl)-6-piperidin-4-ylquinoline is sourced from PubChem (CID 167609281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).