4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile

C83H62N20O6 — CID 158697374

About 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile

4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile (PubChem CID 158697374) has the molecular formula C83H62N20O6 and a molecular weight of 1435.54 g/mol. Its IUPAC name is 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile.

Molecular Properties

• Compound Name: 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
• PubChem CID: 158697374
• Molecular Formula: C83H62N20O6
• Molecular Weight: 1435.54 g/mol
• Exact Mass: 1434.52
• IUPAC Name: 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile
• SMILES: COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cccn2)nc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cncn2)cc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cnc2[nH]ccc2c1
• InChI: InChI=1S/2C28H21N7O2.C27H20N6O2/c1-34-23-16-30-22-13-24(36-2)25(37-17-19-6-9-26(31-15-19)35-11-3-10-32-35)12-21(22)27(23)28(33-34)20-7-4-18(14-29)5-8-20;1-34-24-14-31-23-12-25(36-2)26(37-15-19-5-9-21(10-6-19)35-17-30-16-32-35)11-22(23)27(24)28(33-34)20-7-3-18(13-29)4-8-20;1-33-22-14-30-21-11-23(34-2)24(35-15-17-9-19-7-8-29-27(19)31-13-17)10-20(21)25(22)26(32-33)18-5-3-16(12-28)4-6-18/h3-13,15-16H,17H2,1-2H3;3-12,14,16-17H,15H2,1-2H3;3-11,13-14H,15H2,1-2H3,(H,29,31)
• InChIKey: IHCRIFCRRIMSKK-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 308.98 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 25
• Rotatable Bonds: 17
• Heavy Atoms: 109
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1435.54
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	25

Frequently Asked Questions

What is the IUPAC name of 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?

The IUPAC name of 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile (CID 158697374) is 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile.

What is the SMILES notation for 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?

The canonical SMILES for 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile is COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cccn2)nc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1ccc(-n2cncn2)cc1.COc1cc2ncc3c(c(-c4ccc(C#N)cc4)nn3C)c2cc1OCc1cnc2[nH]ccc2c1.

What is the InChIKey of 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?

The InChIKey is IHCRIFCRRIMSKK-UHFFFAOYSA-N. The full InChI is InChI=1S/2C28H21N7O2.C27H20N6O2/c1-34-23-16-30-22-13-24(36-2)25(37-17-19-6-9-26(31-15-19)35-11-3-10-32-35)12-21(22)27(23)28(33-34)20-7-4-18(14-29)5-8-20;1-34-24-14-31-23-12-25(36-2)26(37-15-19-5-9-21(10-6-19)35-17-30-16-32-35)11-22(23)27(24)28(33-34)20-7-3-18(13-29)4-8-20;1-33-22-14-30-21-11-23(34-2)24(35-15-17-9-19-7-8-29-27(19)31-13-17)10-20(21)25(22)26(32-33)18-5-3-16(12-28)4-6-18/h3-13,15-16H,17H2,1-2H3;3-12,14,16-17H,15H2,1-2H3;3-11,13-14H,15H2,1-2H3,(H,29,31).

What are the key properties of 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile?

4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile has a molecular weight of 1435.54 g/mol, XLogP of 14.78, 17 rotatable bonds, 1 hydrogen bond donors, and 25 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[7-methoxy-3-methyl-8-[(6-pyrazol-1-yl-3-pyridinyl)methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-(1H-pyrrolo[2,3-b]pyridin-5-ylmethoxy)pyrazolo[3,4-c]quinolin-1-yl]benzonitrile;4-[7-methoxy-3-methyl-8-[[4-(1,2,4-triazol-1-yl)phenyl]methoxy]pyrazolo[3,4-c]quinolin-1-yl]benzonitrile is sourced from PubChem (CID 158697374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).