1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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

C94H98ClFN20O8 — CID 161151359

About 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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

1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 161151359) has the molecular formula C94H98ClFN20O8 and a molecular weight of 1690.40 g/mol. Its IUPAC name is 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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: 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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: 161151359
• Molecular Formula: C94H98ClFN20O8
• Molecular Weight: 1690.40 g/mol
• Exact Mass: 1688.75
• IUPAC Name: 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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(-c3ccc(F)c4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(Cl)cncc34)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
• InChI: InChI=1S/2C25H26N6O2.C22H23ClN4O2.C22H23FN4O2/c1-16(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;1-14(28)26-8-5-21-19(13-26)22(25-27(21)15-6-9-29-10-7-15)17-4-2-3-16-18(17)11-24-12-20(16)23;1-14(28)26-9-5-21-19(13-26)22(25-27(21)15-6-10-29-11-7-15)17-2-3-20(23)16-4-8-24-12-18(16)17/h3-5,10-13,19H,6-9,14-15H2,1-2H3;3-7,12-13,18H,8-11,14-15H2,1-2H3;2-4,11-12,15H,5-10,13H2,1H3;2-4,8,12,15H,5-7,9-11,13H2,1H3/t19-;18-;;/m00../s1
• InChIKey: UOSJGNVGVJNOEQ-WNOSHSPGSA-N
• XLogP: 14.23
• TPSA: 276.64 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 10
• Heavy Atoms: 124
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1690.40
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Frequently Asked Questions

What is the IUPAC name of 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 161151359) is 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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(-c3ccc(F)c4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(Cl)cncc34)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.

What is the InChIKey of 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 UOSJGNVGVJNOEQ-WNOSHSPGSA-N. The full InChI is InChI=1S/2C25H26N6O2.C22H23ClN4O2.C22H23FN4O2/c1-16(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;1-14(28)26-8-5-21-19(13-26)22(25-27(21)15-6-9-29-10-7-15)17-4-2-3-16-18(17)11-24-12-20(16)23;1-14(28)26-9-5-21-19(13-26)22(25-27(21)15-6-10-29-11-7-15)17-2-3-20(23)16-4-8-24-12-18(16)17/h3-5,10-13,19H,6-9,14-15H2,1-2H3;3-7,12-13,18H,8-11,14-15H2,1-2H3;2-4,11-12,15H,5-10,13H2,1H3;2-4,8,12,15H,5-7,9-11,13H2,1H3/t19-;18-;;/m00../s1.

What are the key properties of 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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?

1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 1690.40 g/mol, XLogP of 14.23, 10 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-(4-chloroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-(5-fluoroisoquinolin-8-yl)-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;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 161151359), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).