4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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

C110H118F3N21O11 — CID 163706149

About 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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 163706149) has the molecular formula C110H118F3N21O11 and a molecular weight of 1967.28 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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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: 163706149
• Molecular Formula: C110H118F3N21O11
• Molecular Weight: 1967.28 g/mol
• Exact Mass: 1965.93
• IUPAC Name: 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1
• InChI: InChI=1S/C30H34N6O2.C28H30N4O4.C27H26F3N5O2.C25H28N6O3/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;1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;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/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;3-9,20H,10-17H2,1-2H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-5,12-13,17H,6-11,14-15H2,1-2H3
• InChIKey: KFGIHTLEKKFIRY-UHFFFAOYSA-N
• XLogP: 16.54
• TPSA: 294.95 Ų
• H-Bond Acceptors: 26
• Rotatable Bonds: 14
• Heavy Atoms: 145
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1967.28
LogP ≤ 5	16.54
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	26

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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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 163706149) is 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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.COc1ccc(N2Cc3c(cccc3-c3nn(C4CCOCC4)c4c3CN(C(C)=O)CC4)C2=O)cc1.

What is the InChIKey of 4-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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 KFGIHTLEKKFIRY-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H34N6O2.C28H30N4O4.C27H26F3N5O2.C25H28N6O3/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;1-18(33)30-13-10-26-25(16-30)27(29-32(26)20-11-14-36-15-12-20)22-4-3-5-23-24(22)17-31(28(23)34)19-6-8-21(35-2)9-7-19;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/h4-9,15,20,24H,2-3,10-14,16-19H2,1H3;3-9,20H,10-17H2,1-2H3;2-6,10,14,16,20H,7-9,11-13,15H2,1H3;3-5,12-13,17H,6-11,14-15H2,1-2H3.

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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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 1967.28 g/mol, XLogP of 16.54, 14 rotatable bonds, 0 hydrogen bond donors, and 26 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-(4-methoxyphenyl)-3H-isoindol-1-one;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-[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 163706149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).