4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C107H116F3N23O9 — CID 159660142

About 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 159660142) has the molecular formula C107H116F3N23O9 and a molecular weight of 1925.25 g/mol. Its IUPAC name is 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 159660142
• Molecular Formula: C107H116F3N23O9
• Molecular Weight: 1925.25 g/mol
• Exact Mass: 1923.93
• IUPAC Name: 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5ccc(N6CCCC6)cc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(C(F)(F)F)c5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1
• InChI: InChI=1S/C30H34N6O2.C27H26F3N5O2.C25H28N6O3.C25H28N6O2/c1-21(37)34-16-10-28-26(19-34)29(32-36(28)24-11-17-38-18-12-24)25-5-4-15-35-20-27(31-30(25)35)22-6-8-23(9-7-22)33-13-2-3-14-33;1-17(36)33-11-7-24-22(15-33)25(32-35(24)20-8-12-37-13-9-20)21-6-3-10-34-16-23(31-26(21)34)18-4-2-5-19(14-18)27(28,29)30;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3
• InChIKey: MSRRJUUEHCFSEE-UHFFFAOYSA-N
• XLogP: 16.04
• TPSA: 288.16 Ų
• H-Bond Acceptors: 27
• Rotatable Bonds: 13
• Heavy Atoms: 142
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1925.25
LogP ≤ 5	16.04
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	27

Frequently Asked Questions

What is the IUPAC name of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 159660142) is 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4c3CN(c3cnn(C)c3)C4=O)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5ccc(N6CCCC6)cc5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccn4cc(-c5cccc(C(F)(F)F)c5)nc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-n3ccc4ccc(-c5cnn(C)c5)cc43)nn2C2CCOCC2)C1.

What is the InChIKey of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is MSRRJUUEHCFSEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2.C27H26F3N5O2.C25H28N6O3.C25H28N6O2/c1-21(37)34-16-10-28-26(19-34)29(32-36(28)24-11-17-38-18-12-24)25-5-4-15-35-20-27(31-30(25)35)22-6-8-23(9-7-22)33-13-2-3-14-33;1-17(36)33-11-7-24-22(15-33)25(32-35(24)20-8-12-37-13-9-20)21-6-3-10-34-16-23(31-26(21)34)18-4-2-5-19(14-18)27(28,29)30;1-16(32)29-9-6-23-22(14-29)24(27-31(23)17-7-10-34-11-8-17)19-4-3-5-20-21(19)15-30(25(20)33)18-12-26-28(2)13-18;1-17(32)29-9-6-23-22(16-29)25(27-31(23)21-7-11-33-12-8-21)30-10-5-18-3-4-19(13-24(18)30)20-14-26-28(2)15-20/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-5,12-13,17H,6-11,14-15H2,1-2H3;3-5,10,13-15,21H,6-9,11-12,16H2,1-2H3.

What are the key properties of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1925.25 g/mol, XLogP of 16.04, 13 rotatable bonds, 0 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(1-methylpyrazol-4-yl)-3H-isoindol-1-one;1-[3-[6-(1-methylpyrazol-4-yl)indol-1-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-(4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[1-(oxan-4-yl)-3-[2-[3-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-8-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 159660142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).