1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C34H41F2N9O — CID 176983462

About 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 176983462) has the molecular formula C34H41F2N9O and a molecular weight of 629.76 g/mol. Its IUPAC name is 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 176983462
• Molecular Formula: C34H41F2N9O
• Molecular Weight: 629.76 g/mol
• Exact Mass: 629.34
• IUPAC Name: 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCn3c(cnc3C3CCNCC3)C2)C1
• InChI: InChI=1S/C34H41F2N9O/c1-21(46)42-12-8-30-29(20-42)34(40-45(30)25-7-13-43-26(15-25)18-38-33(43)22-5-9-37-10-6-22)44-11-3-4-23-14-27(24-17-39-41(2)19-24)28(32(35)36)16-31(23)44/h14,16-19,22,25,32,37H,3-13,15,20H2,1-2H3
• InChIKey: WUUPEPFPQOILEF-UHFFFAOYSA-N
• XLogP: 5.06
• TPSA: 89.04 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 5
• Heavy Atoms: 46
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	629.76
LogP ≤ 5	5.06
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 176983462) is 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5)c(C(F)F)cc43)nn2C2CCn3c(cnc3C3CCNCC3)C2)C1.

What is the InChIKey of 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is WUUPEPFPQOILEF-UHFFFAOYSA-N. The full InChI is InChI=1S/C34H41F2N9O/c1-21(46)42-12-8-30-29(20-42)34(40-45(30)25-7-13-43-26(15-25)18-38-33(43)22-5-9-37-10-6-22)44-11-3-4-23-14-27(24-17-39-41(2)19-24)28(32(35)36)16-31(23)44/h14,16-19,22,25,32,37H,3-13,15,20H2,1-2H3.

What are the key properties of 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 629.76 g/mol, XLogP of 5.06, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[7-(difluoromethyl)-6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-1-(3-piperidin-4-yl-5,6,7,8-tetrahydroimidazo[1,5-a]pyridin-7-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 176983462), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).