5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane

C46H64FN7O3 — CID 156752726

About 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane

5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane (PubChem CID 156752726) has the molecular formula C46H64FN7O3 and a molecular weight of 782.06 g/mol. Its IUPAC name is 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane.

Molecular Properties

• Compound Name: 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane
• PubChem CID: 156752726
• Molecular Formula: C46H64FN7O3
• Molecular Weight: 782.06 g/mol
• Exact Mass: 781.51
• IUPAC Name: 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane
• SMILES: CC.COC(C)(C)C.Cc1ccc(N2CCCC(N(Cc3ccnc(C)c3)Cc3cn(C4CC4)c4cc(N5CCC6C(CCN6C=O)C5)c(F)cc4c3=O)C2)cn1
• InChI: InChI=1S/C39H46FN7O2.C5H12O.C2H6/c1-26-5-6-32(19-42-26)43-13-3-4-33(24-43)46(20-28-9-12-41-27(2)16-28)22-30-23-47(31-7-8-31)37-18-38(35(40)17-34(37)39(30)49)44-15-11-36-29(21-44)10-14-45(36)25-48;1-5(2,3)6-4;1-2/h5-6,9,12,16-19,23,25,29,31,33,36H,3-4,7-8,10-11,13-15,20-22,24H2,1-2H3;1-4H3;1-2H3
• InChIKey: RNUUZWDTKKZTII-UHFFFAOYSA-N
• XLogP: 8.07
• TPSA: 87.04 Ų
• H-Bond Acceptors: 9
• Rotatable Bonds: 9
• Heavy Atoms: 57
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	782.06
LogP ≤ 5	8.07
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'aldehyde', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane?

The IUPAC name of 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane (CID 156752726) is 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane.

What is the SMILES notation for 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane?

The canonical SMILES for 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane is CC.COC(C)(C)C.Cc1ccc(N2CCCC(N(Cc3ccnc(C)c3)Cc3cn(C4CC4)c4cc(N5CCC6C(CCN6C=O)C5)c(F)cc4c3=O)C2)cn1.

What is the InChIKey of 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane?

The InChIKey is RNUUZWDTKKZTII-UHFFFAOYSA-N. The full InChI is InChI=1S/C39H46FN7O2.C5H12O.C2H6/c1-26-5-6-32(19-42-26)43-13-3-4-33(24-43)46(20-28-9-12-41-27(2)16-28)22-30-23-47(31-7-8-31)37-18-38(35(40)17-34(37)39(30)49)44-15-11-36-29(21-44)10-14-45(36)25-48;1-5(2,3)6-4;1-2/h5-6,9,12,16-19,23,25,29,31,33,36H,3-4,7-8,10-11,13-15,20-22,24H2,1-2H3;1-4H3;1-2H3.

What are the key properties of 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane?

5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane has a molecular weight of 782.06 g/mol, XLogP of 8.07, 9 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[1-cyclopropyl-6-fluoro-3-[[(2-methyl-4-pyridinyl)methyl-[1-(6-methyl-3-pyridinyl)piperidin-3-yl]amino]methyl]-4-oxoquinolin-7-yl]-3,3a,4,6,7,7a-hexahydro-2H-pyrrolo[3,2-c]pyridine-1-carbaldehyde;ethane;2-methoxy-2-methylpropane is sourced from PubChem (CID 156752726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).