7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline

C26H30F2N4OS — CID 121373180

About 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline

7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline (PubChem CID 121373180) has the molecular formula C26H30F2N4OS and a molecular weight of 484.62 g/mol. Its IUPAC name is 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline.

Molecular Properties

• Compound Name: 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
• PubChem CID: 121373180
• Molecular Formula: C26H30F2N4OS
• Molecular Weight: 484.62 g/mol
• Exact Mass: 484.21
• IUPAC Name: 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline
• SMILES: Cc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CCC3)s1
• InChI: InChI=1S/C26H30F2N4OS/c1-16-4-5-24(34-16)19-13-17-3-2-10-31(23(17)14-20(19)25(27)28)26-21-15-29-9-6-22(21)32(30-26)18-7-11-33-12-8-18/h4-5,13-14,18,25,29H,2-3,6-12,15H2,1H3
• InChIKey: BNPYQQGWJOBWIY-UHFFFAOYSA-N
• XLogP: 5.94
• TPSA: 42.32 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 6
• Rotatable Bonds: 4
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	484.62
LogP ≤ 5	5.94
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	6

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?

The IUPAC name of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline (CID 121373180) is 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline.

What is the SMILES notation for 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?

The canonical SMILES for 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline is Cc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CNCC4)CCC3)s1.

What is the InChIKey of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?

The InChIKey is BNPYQQGWJOBWIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30F2N4OS/c1-16-4-5-24(34-16)19-13-17-3-2-10-31(23(17)14-20(19)25(27)28)26-21-15-29-9-6-22(21)32(30-26)18-7-11-33-12-8-18/h4-5,13-14,18,25,29H,2-3,6-12,15H2,1H3.

What are the key properties of 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline?

7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline has a molecular weight of 484.62 g/mol, XLogP of 5.94, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(difluoromethyl)-6-(5-methylthiophen-2-yl)-1-[1-(oxan-4-yl)-4,5,6,7-tetrahydropyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-quinoline is sourced from PubChem (CID 121373180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).