5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C134H145F3N28O12 — CID 163646282

About 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 163646282) has the molecular formula C134H145F3N28O12 and a molecular weight of 2396.81 g/mol. Its IUPAC name is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 163646282
• Molecular Formula: C134H145F3N28O12
• Molecular Weight: 2396.81 g/mol
• Exact Mass: 2395.15
• IUPAC Name: 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(C3CCCC3)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(-c5cnn(C)c5)ccc34)nn2[C@H]2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ncc(-c5cnn(C)c5)cc34)nn2[C@H]2CCOC2)C1.CCC(=O)N1CCc2c(c(-c3cncc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nn2C2CCOCC2)C1.CNC(=O)c1ccc(-c2ncc3c(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)cccc3c2F)cn1
• InChI: InChI=1S/C29H29FN6O3.C28H30F2N6O2.C27H34N4O3.2C25H26N6O2/c1-17(37)35-11-8-25-23(16-35)28(34-36(25)19-9-12-39-13-10-19)21-5-3-4-20-22(21)15-33-27(26(20)30)18-6-7-24(32-14-18)29(38)31-2;1-3-26(37)35-7-4-25-24(16-35)27(33-36(25)19-5-8-38-9-6-19)23-14-31-12-17-10-20(18-13-32-34(2)15-18)22(28(29)30)11-21(17)23;1-18(32)29-12-9-25-24(17-29)27(28-31(25)21-10-13-34-14-11-21)22-8-4-5-19-16-30(20-6-2-3-7-20)26(33)15-23(19)22;1-16(32)30-8-6-24-22(14-30)25(28-31(24)19-7-9-33-15-19)20-4-3-5-23-21(20)10-17(11-26-23)18-12-27-29(2)13-18;1-16(32)30-10-8-24-21(14-30)25(28-31(24)18-9-11-33-15-18)20-4-3-5-23-19(20)6-7-22(27-23)17-12-26-29(2)13-17/h3-7,14-15,19H,8-13,16H2,1-2H3,(H,31,38);10-15,19,28H,3-9,16H2,1-2H3;4-5,8,20-21H,2-3,6-7,9-17H2,1H3;3-5,10-13,19H,6-9,14-15H2,1-2H3;3-7,12-13,18H,8-11,14-15H2,1-2H3/t;;;19-;18-/m...00/s1
• InChIKey: IIMLEAXXEQOPCA-VVOXADMPSA-N
• XLogP: 19.36
• TPSA: 404.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 33
• Rotatable Bonds: 18
• Heavy Atoms: 177
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2396.81
LogP ≤ 5	19.36
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 163646282) is 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4c3CC(=O)N(C3CCCC3)C4)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4nc(-c5cnn(C)c5)ccc34)nn2[C@H]2CCOC2)C1.CC(=O)N1CCc2c(c(-c3cccc4ncc(-c5cnn(C)c5)cc34)nn2[C@H]2CCOC2)C1.CCC(=O)N1CCc2c(c(-c3cncc4cc(-c5cnn(C)c5)c(C(F)F)cc34)nn2C2CCOCC2)C1.CNC(=O)c1ccc(-c2ncc3c(-c4nn(C5CCOCC5)c5c4CN(C(C)=O)CC5)cccc3c2F)cn1.

What is the InChIKey of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is IIMLEAXXEQOPCA-VVOXADMPSA-N. The full InChI is InChI=1S/C29H29FN6O3.C28H30F2N6O2.C27H34N4O3.2C25H26N6O2/c1-17(37)35-11-8-25-23(16-35)28(34-36(25)19-9-12-39-13-10-19)21-5-3-4-20-22(21)15-33-27(26(20)30)18-6-7-24(32-14-18)29(38)31-2;1-3-26(37)35-7-4-25-24(16-35)27(33-36(25)19-5-8-38-9-6-19)23-14-31-12-17-10-20(18-13-32-34(2)15-18)22(28(29)30)11-21(17)23;1-18(32)29-12-9-25-24(17-29)27(28-31(25)21-10-13-34-14-11-21)22-8-4-5-19-16-30(20-6-2-3-7-20)26(33)15-23(19)22;1-16(32)30-8-6-24-22(14-30)25(28-31(24)19-7-9-33-15-19)20-4-3-5-23-21(20)10-17(11-26-23)18-12-27-29(2)13-18;1-16(32)30-10-8-24-21(14-30)25(28-31(24)18-9-11-33-15-18)20-4-3-5-23-19(20)6-7-22(27-23)17-12-26-29(2)13-17/h3-7,14-15,19H,8-13,16H2,1-2H3,(H,31,38);10-15,19,28H,3-9,16H2,1-2H3;4-5,8,20-21H,2-3,6-7,9-17H2,1H3;3-5,10-13,19H,6-9,14-15H2,1-2H3;3-7,12-13,18H,8-11,14-15H2,1-2H3/t;;;19-;18-/m...00/s1.

What are the key properties of 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 2396.81 g/mol, XLogP of 19.36, 18 rotatable bonds, 1 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 5-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-2-cyclopentyl-1,4-dihydroisoquinolin-3-one;5-[8-[5-acetyl-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-4-fluoroisoquinolin-3-yl]-N-methylpyridine-2-carboxamide;1-[3-[6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinolin-4-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]propan-1-one;1-[3-[2-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(1-methylpyrazol-4-yl)quinolin-5-yl]-1-[(3S)-oxolan-3-yl]-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 163646282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).