N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

C85H98F2N22O7 — CID 157125993

About N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide

N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (PubChem CID 157125993) has the molecular formula C85H98F2N22O7 and a molecular weight of 1577.86 g/mol. Its IUPAC name is N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

Molecular Properties

• Compound Name: N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• PubChem CID: 157125993
• Molecular Formula: C85H98F2N22O7
• Molecular Weight: 1577.86 g/mol
• Exact Mass: 1576.80
• IUPAC Name: N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide
• SMILES: CC(=O)Nc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncn5)c(C#N)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5C)c(C#N)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C30H34F2N6O3.C28H34N8O2.C27H30N8O2/c1-18(39)34-28-6-5-21(16-33-28)23-14-20-4-3-10-37(27(20)15-24(23)29(31)32)30-25-17-36(19(2)40)11-7-26(25)38(35-30)22-8-12-41-13-9-22;1-18-23(16-31-33(18)3)22-13-19-5-4-9-35(26(19)14-20(22)15-29)27-24-17-34(28(37)30-2)10-6-25(24)36(32-27)21-7-11-38-12-8-21;1-29-27(36)33-10-5-24-22(16-33)26(32-35(24)20-6-11-37-12-7-20)34-9-2-3-18-13-21(19(15-28)14-25(18)34)23-4-8-30-17-31-23/h5-6,14-16,22,29H,3-4,7-13,17H2,1-2H3,(H,33,34,39);13-14,16,21H,4-12,17H2,1-3H3,(H,30,37);4,8,13-14,17,20H,2-3,5-7,9-12,16H2,1H3,(H,29,36)
• InChIKey: AIMWQXMVRFTITQ-UHFFFAOYSA-N
• XLogP: 12.12
• TPSA: 309.03 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 23
• Rotatable Bonds: 11
• Heavy Atoms: 116
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1577.86
LogP ≤ 5	12.12
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	23

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The IUPAC name of N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide (CID 157125993) is N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide.

What is the SMILES notation for N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The canonical SMILES for N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is CC(=O)Nc1ccc(-c2cc3c(cc2C(F)F)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncn5)c(C#N)cc43)nn2C2CCOCC2)C1.CNC(=O)N1CCc2c(c(N3CCCc4cc(-c5cnn(C)c5C)c(C#N)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

The InChIKey is AIMWQXMVRFTITQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34F2N6O3.C28H34N8O2.C27H30N8O2/c1-18(39)34-28-6-5-21(16-33-28)23-14-20-4-3-10-37(27(20)15-24(23)29(31)32)30-25-17-36(19(2)40)11-7-26(25)38(35-30)22-8-12-41-13-9-22;1-18-23(16-31-33(18)3)22-13-19-5-4-9-35(26(19)14-20(22)15-29)27-24-17-34(28(37)30-2)10-6-25(24)36(32-27)21-7-11-38-12-8-21;1-29-27(36)33-10-5-24-22(16-33)26(32-35(24)20-6-11-37-12-7-20)34-9-2-3-18-13-21(19(15-28)14-25(18)34)23-4-8-30-17-31-23/h5-6,14-16,22,29H,3-4,7-13,17H2,1-2H3,(H,33,34,39);13-14,16,21H,4-12,17H2,1-3H3,(H,30,37);4,8,13-14,17,20H,2-3,5-7,9-12,16H2,1H3,(H,29,36).

What are the key properties of N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide?

N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide has a molecular weight of 1577.86 g/mol, XLogP of 12.12, 11 rotatable bonds, 3 hydrogen bond donors, and 23 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-[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]-2-pyridinyl]acetamide;3-[7-cyano-6-(1,5-dimethylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide;3-(7-cyano-6-pyrimidin-4-yl-3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine-5-carboxamide is sourced from PubChem (CID 157125993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).