1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C108H128F2N20O8 — CID 163482053

About 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 163482053) has the molecular formula C108H128F2N20O8 and a molecular weight of 1872.34 g/mol. Its IUPAC name is 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 163482053
• Molecular Formula: C108H128F2N20O8
• Molecular Weight: 1872.34 g/mol
• Exact Mass: 1871.02
• IUPAC Name: 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC=CC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C)(C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCC5(C)C)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5C[C@@H](F)[C@@H](F)C5)ncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/2C28H35N5O2.C26H29F2N5O2.C26H29N5O2/c1-19(34)31-13-8-25-24(18-31)27(30-33(25)21-9-14-35-15-10-21)22-7-4-6-20-16-26(29-17-23(20)22)32-12-5-11-28(32,2)3;1-19(34)31-11-7-25-24(17-31)27(30-33(25)21-8-13-35-14-9-21)22-6-4-5-20-15-26(29-16-23(20)22)32-12-10-28(2,3)18-32;1-16(34)31-8-5-24-21(13-31)26(30-33(24)18-6-9-35-10-7-18)19-4-2-3-17-11-25(29-12-20(17)19)32-14-22(27)23(28)15-32;1-18(32)30-12-7-24-23(17-30)26(28-31(24)20-8-13-33-14-9-20)21-6-4-5-19-15-25(27-16-22(19)21)29-10-2-3-11-29/h4,6-7,16-17,21H,5,8-15,18H2,1-3H3;4-6,15-16,21H,7-14,17-18H2,1-3H3;2-4,11-12,18,22-23H,5-10,13-15H2,1H3;2-6,15-16,20H,7-14,17H2,1H3/t;;22-,23+
• InChIKey: CFJYDUOCWWZEGW-SOPCTEKVSA-N
• XLogP: 16.91
• TPSA: 253.96 Ų
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 138
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1872.34
LogP ≤ 5	16.91
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 163482053) is 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3cccc4cc(N5CC=CC5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCC(C)(C)C5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5CCCC5(C)C)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4cc(N5C[C@@H](F)[C@@H](F)C5)ncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is CFJYDUOCWWZEGW-SOPCTEKVSA-N. The full InChI is InChI=1S/2C28H35N5O2.C26H29F2N5O2.C26H29N5O2/c1-19(34)31-13-8-25-24(18-31)27(30-33(25)21-9-14-35-15-10-21)22-7-4-6-20-16-26(29-17-23(20)22)32-12-5-11-28(32,2)3;1-19(34)31-11-7-25-24(17-31)27(30-33(25)21-8-13-35-14-9-21)22-6-4-5-20-15-26(29-16-23(20)22)32-12-10-28(2,3)18-32;1-16(34)31-8-5-24-21(13-31)26(30-33(24)18-6-9-35-10-7-18)19-4-2-3-17-11-25(29-12-20(17)19)32-14-22(27)23(28)15-32;1-18(32)30-12-7-24-23(17-30)26(28-31(24)20-8-13-33-14-9-20)21-6-4-5-19-15-25(27-16-22(19)21)29-10-2-3-11-29/h4,6-7,16-17,21H,5,8-15,18H2,1-3H3;4-6,15-16,21H,7-14,17-18H2,1-3H3;2-4,11-12,18,22-23H,5-10,13-15H2,1H3;2-6,15-16,20H,7-14,17H2,1H3/t;;22-,23+;.

What are the key properties of 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1872.34 g/mol, XLogP of 16.91, 12 rotatable bonds, 0 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[3-[(3S,4R)-3,4-difluoropyrrolidin-1-yl]isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,5-dihydropyrrol-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(2,2-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[3-(3,3-dimethylpyrrolidin-1-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 163482053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).