N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

C114H126N26O10 — CID 158778021

About N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile

N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (PubChem CID 158778021) has the molecular formula C114H126N26O10 and a molecular weight of 2020.43 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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
• PubChem CID: 158778021
• Molecular Formula: C114H126N26O10
• Molecular Weight: 2020.43 g/mol
• Exact Mass: 2019.02
• IUPAC Name: N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile
• SMILES: CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccnc5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)Nc1ccc(-c2cc3c(cc2C#N)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.CNC(=O)c1ccc(-c2cc3c(cn2)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1
• InChI: InChI=1S/C30H33N7O3.C28H33N7O3.2C28H30N6O2/c1-19(38)33-29-6-5-22(17-32-29)25-14-21-4-3-10-36(28(21)15-23(25)16-31)30-26-18-35(20(2)39)11-7-27(26)37(34-30)24-8-12-40-13-9-24;1-18(36)33-11-7-25-22(17-33)27(32-35(25)21-8-12-38-13-9-21)34-10-3-4-19-14-24(31-16-26(19)34)20-5-6-23(30-15-20)28(37)29-2;1-19(35)32-11-6-26-25(18-32)28(31-34(26)23-7-12-36-13-8-23)33-10-3-5-20-14-24(21-4-2-9-30-17-21)22(16-29)15-27(20)33;1-19(35)32-12-6-26-25(18-32)28(31-34(26)23-7-13-36-14-8-23)33-11-2-3-21-15-24(20-4-9-30-10-5-20)22(17-29)16-27(21)33/h5-6,14-15,17,24H,3-4,7-13,18H2,1-2H3,(H,32,33,38);5-6,14-16,21H,3-4,7-13,17H2,1-2H3,(H,29,37);2,4,9,14-15,17,23H,3,5-8,10-13,18H2,1H3;4-5,9-10,15-16,23H,2-3,6-8,11-14,18H2,1H3
• InChIKey: IQSIUCXHSRKMGB-UHFFFAOYSA-N
• XLogP: 15.47
• TPSA: 396.42 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 30
• Rotatable Bonds: 14
• Heavy Atoms: 150
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2020.43
LogP ≤ 5	15.47
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	30

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile (CID 158778021) is N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile.

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is CC(=O)N1CCc2c(c(N3CCCc4cc(-c5cccnc5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(N3CCCc4cc(-c5ccncc5)c(C#N)cc43)nn2C2CCOCC2)C1.CC(=O)Nc1ccc(-c2cc3c(cc2C#N)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.CNC(=O)c1ccc(-c2cc3c(cn2)N(c2nn(C4CCOCC4)c4c2CN(C(C)=O)CC4)CCC3)cn1.

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?

The InChIKey is IQSIUCXHSRKMGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O3.C28H33N7O3.2C28H30N6O2/c1-19(38)33-29-6-5-22(17-32-29)25-14-21-4-3-10-36(28(21)15-23(25)16-31)30-26-18-35(20(2)39)11-7-27(26)37(34-30)24-8-12-40-13-9-24;1-18(36)33-11-7-25-22(17-33)27(32-35(25)21-8-12-38-13-9-21)34-10-3-4-19-14-24(31-16-26(19)34)20-5-6-23(30-15-20)28(37)29-2;1-19(35)32-11-6-26-25(18-32)28(31-34(26)23-7-12-36-13-8-23)33-10-3-5-20-14-24(21-4-2-9-30-17-21)22(16-29)15-27(20)33;1-19(35)32-12-6-26-25(18-32)28(31-34(26)23-7-13-36-14-8-23)33-11-2-3-21-15-24(20-4-9-30-10-5-20)22(17-29)16-27(21)33/h5-6,14-15,17,24H,3-4,7-13,18H2,1-2H3,(H,32,33,38);5-6,14-16,21H,3-4,7-13,17H2,1-2H3,(H,29,37);2,4,9,14-15,17,23H,3,5-8,10-13,18H2,1H3;4-5,9-10,15-16,23H,2-3,6-8,11-14,18H2,1H3.

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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile?

N-[5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-7-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile has a molecular weight of 2020.43 g/mol, XLogP of 15.47, 14 rotatable bonds, 2 hydrogen bond donors, and 30 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-cyano-3,4-dihydro-2H-quinolin-6-yl]-2-pyridinyl]acetamide;5-[1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-3,4-dihydro-2H-1,7-naphthyridin-6-yl]-N-methylpyridine-2-carboxamide;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-3-yl-3,4-dihydro-2H-quinoline-7-carbonitrile;1-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-6-pyridin-4-yl-3,4-dihydro-2H-quinoline-7-carbonitrile is sourced from PubChem (CID 158778021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).