1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone

C100H113N20O10+ — CID 158773360

About 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone

1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone (PubChem CID 158773360) has the molecular formula C100H113N20O10+ and a molecular weight of 1755.13 g/mol. Its IUPAC name is 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone.

Molecular Properties

• Compound Name: 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone
• PubChem CID: 158773360
• Molecular Formula: C100H113N20O10+
• Molecular Weight: 1755.13 g/mol
• Exact Mass: 1753.89
• IUPAC Name: 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(-c3c(C)ccc4cc(-c5cnn(C)c5)ncc34)[nH][n+]2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cc(C)cc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccc(CO)c4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(CO)cncc34)nn2C2CCOCC2)C1
• InChI: InChI=1S/2C27H30N6O2.2C23H26N4O3/c1-17-10-19-12-25(20-13-29-31(3)15-20)28-14-23(19)22(11-17)27-24-16-32(18(2)34)7-4-26(24)33(30-27)21-5-8-35-9-6-21;1-17-4-5-19-12-24(20-13-29-31(3)15-20)28-14-22(19)26(17)27-23-16-32(18(2)34)9-6-25(23)33(30-27)21-7-10-35-11-8-21;1-15(29)26-9-5-22-21(13-26)23(25-27(22)17-6-10-30-11-7-17)19-3-2-16(14-28)18-4-8-24-12-20(18)19;1-15(29)26-8-5-22-21(13-26)23(25-27(22)17-6-9-30-10-7-17)19-4-2-3-18-16(14-28)11-24-12-20(18)19/h10-15,21H,4-9,16H2,1-3H3;4-5,12-15,21H,6-11,16H2,1-3H3;2-4,8,12,17,28H,5-7,9-11,13-14H2,1H3;2-4,11-12,17,28H,5-10,13-14H2,1H3/p+1
• InChIKey: UYTLZFFHKJSFTL-UHFFFAOYSA-O
• XLogP: 13.24
• TPSA: 318.95 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 24
• Rotatable Bonds: 12
• Heavy Atoms: 130
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1755.13
LogP ≤ 5	13.24
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	24

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone?

The IUPAC name of 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone (CID 158773360) is 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone.

What is the SMILES notation for 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone?

The canonical SMILES for 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone is CC(=O)N1CCc2c(c(-c3c(C)ccc4cc(-c5cnn(C)c5)ncc34)[nH][n+]2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cc(C)cc4cc(-c5cnn(C)c5)ncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3ccc(CO)c4ccncc34)nn2C2CCOCC2)C1.CC(=O)N1CCc2c(c(-c3cccc4c(CO)cncc34)nn2C2CCOCC2)C1.

What is the InChIKey of 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone?

The InChIKey is UYTLZFFHKJSFTL-UHFFFAOYSA-O. The full InChI is InChI=1S/2C27H30N6O2.2C23H26N4O3/c1-17-10-19-12-25(20-13-29-31(3)15-20)28-14-23(19)22(11-17)27-24-16-32(18(2)34)7-4-26(24)33(30-27)21-5-8-35-9-6-21;1-17-4-5-19-12-24(20-13-29-31(3)15-20)28-14-22(19)26(17)27-23-16-32(18(2)34)9-6-25(23)33(30-27)21-7-10-35-11-8-21;1-15(29)26-9-5-22-21(13-26)23(25-27(22)17-6-10-30-11-7-17)19-3-2-16(14-28)18-4-8-24-12-20(18)19;1-15(29)26-8-5-22-21(13-26)23(25-27(22)17-6-9-30-10-7-17)19-4-2-3-18-16(14-28)11-24-12-20(18)19/h10-15,21H,4-9,16H2,1-3H3;4-5,12-15,21H,6-11,16H2,1-3H3;2-4,8,12,17,28H,5-7,9-11,13-14H2,1H3;2-4,11-12,17,28H,5-10,13-14H2,1H3/p+1.

What are the key properties of 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone?

1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone has a molecular weight of 1755.13 g/mol, XLogP of 13.24, 12 rotatable bonds, 3 hydrogen bond donors, and 24 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-[4-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[5-(hydroxymethyl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[6-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone;1-[3-[7-methyl-3-(1-methylpyrazol-4-yl)isoquinolin-8-yl]-1-(oxan-4-yl)-2,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-1-ium-5-yl]ethanone is sourced from PubChem (CID 158773360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).