4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C115H127ClF8N22O9 — CID 158944942

About 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 158944942) has the molecular formula C115H127ClF8N22O9 and a molecular weight of 2148.86 g/mol. Its IUPAC name is 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 158944942
• Molecular Formula: C115H127ClF8N22O9
• Molecular Weight: 2148.86 g/mol
• Exact Mass: 2146.97
• IUPAC Name: 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(C#N)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccn(C)c(=O)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C29H34F2N6O3.C29H30F2N6O2.C29H33F2N5O2.C28H30ClF2N5O2/c1-32-29(39)35-11-6-24-23(17-35)28(33-37(24)20-7-12-40-13-8-20)36-9-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-10-34(2)26(38)15-18;1-18(38)35-10-5-26-25(17-35)29(34-37(26)22-6-11-39-12-7-22)36-9-2-3-20-14-23(24(28(30)31)15-27(20)36)19-4-8-33-21(13-19)16-32;1-18-14-20(5-9-32-18)23-15-21-4-3-10-35(27(21)16-24(23)28(30)31)29-25-17-34(19(2)37)11-6-26(25)36(33-29)22-7-12-38-13-8-22;1-17(37)34-10-5-25-23(16-34)28(33-36(25)19-6-11-38-12-7-19)35-9-2-3-18-13-21(20-4-8-32-15-24(20)29)22(27(30)31)14-26(18)35/h5,10,14-16,20,27H,3-4,6-9,11-13,17H2,1-2H3,(H,32,39);4,8,13-15,22,28H,2-3,5-7,9-12,17H2,1H3;5,9,14-16,22,28H,3-4,6-8,10-13,17H2,1-2H3;4,8,13-15,19,27H,2-3,5-7,9-12,16H2,1H3
• InChIKey: JKRZHGBOQMGFAD-UHFFFAOYSA-N
• XLogP: 20.82
• TPSA: 298.89 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 26
• Rotatable Bonds: 16
• Heavy Atoms: 155
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2148.86
LogP ≤ 5	20.82
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 158944942) is 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(C#N)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccnc(C)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5Cl)c(C(F)F)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccn(C)c(=O)c5)c(C(F)F)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is JKRZHGBOQMGFAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H34F2N6O3.C29H30F2N6O2.C29H33F2N5O2.C28H30ClF2N5O2/c1-32-29(39)35-11-6-24-23(17-35)28(33-37(24)20-7-12-40-13-8-20)36-9-3-4-19-14-21(22(27(30)31)16-25(19)36)18-5-10-34(2)26(38)15-18;1-18(38)35-10-5-26-25(17-35)29(34-37(26)22-6-11-39-12-7-22)36-9-2-3-20-14-23(24(28(30)31)15-27(20)36)19-4-8-33-21(13-19)16-32;1-18-14-20(5-9-32-18)23-15-21-4-3-10-35(27(21)16-24(23)28(30)31)29-25-17-34(19(2)37)11-6-26(25)36(33-29)22-7-12-38-13-8-22;1-17(37)34-10-5-25-23(16-34)28(33-36(25)19-6-11-38-12-7-19)35-9-2-3-18-13-21(20-4-8-32-15-24(20)29)22(27(30)31)14-26(18)35/h5,10,14-16,20,27H,3-4,6-9,11-13,17H2,1-2H3,(H,32,39);4,8,13-15,22,28H,2-3,5-7,9-12,17H2,1H3;5,9,14-16,22,28H,3-4,6-8,10-13,17H2,1-2H3;4,8,13-15,19,27H,2-3,5-7,9-12,16H2,1H3.

What are the key properties of 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2148.86 g/mol, XLogP of 20.82, 16 rotatable bonds, 1 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-6-yl]pyridine-2-carbonitrile;1-[3-[6-(3-chloro-4-pyridinyl)-7-(difluoromethyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;3-[7-(difluoromethyl)-6-(1-methyl-2-oxo-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;1-[3-[7-(difluoromethyl)-6-(2-methyl-4-pyridinyl)-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 158944942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).