3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

C68H74N14O6 — CID 145092205

About 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone

3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (PubChem CID 145092205) has the molecular formula C68H74N14O6 and a molecular weight of 1183.43 g/mol. Its IUPAC name is 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

Molecular Properties

• Compound Name: 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• PubChem CID: 145092205
• Molecular Formula: C68H74N14O6
• Molecular Weight: 1183.43 g/mol
• Exact Mass: 1182.59
• IUPAC Name: 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone
• SMILES: CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(CO)c4)cc3)nn2C)C1.CNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cc1.CNC(=O)c1cccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)c1
• InChI: InChI=1S/2C23H25N5O2.C22H24N4O2/c1-15(29)28-13-12-21-20(14-28)22(26-27(21)3)25-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)24-2;1-15(29)28-12-11-21-20(14-28)22(26-27(21)3)25-19-9-7-16(8-10-19)17-5-4-6-18(13-17)23(30)24-2;1-15(28)26-11-10-21-20(13-26)22(24-25(21)2)23-19-8-6-17(7-9-19)18-5-3-4-16(12-18)14-27/h4-11H,12-14H2,1-3H3,(H,24,30)(H,25,26);4-10,13H,11-12,14H2,1-3H3,(H,24,30)(H,25,26);3-9,12,27H,10-11,13-14H2,1-2H3,(H,23,24)
• InChIKey: MLBBTEBROOQACL-UHFFFAOYSA-N
• XLogP: 9.42
• TPSA: 228.91 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 88
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1183.43
LogP ≤ 5	9.42
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The IUPAC name of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone (CID 145092205) is 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone.

What is the SMILES notation for 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The canonical SMILES for 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is CC(=O)N1CCc2c(c(Nc3ccc(-c4cccc(CO)c4)cc3)nn2C)C1.CNC(=O)c1ccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)cc1.CNC(=O)c1cccc(-c2ccc(Nc3nn(C)c4c3CN(C(C)=O)CC4)cc2)c1.

What is the InChIKey of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

The InChIKey is MLBBTEBROOQACL-UHFFFAOYSA-N. The full InChI is InChI=1S/2C23H25N5O2.C22H24N4O2/c1-15(29)28-13-12-21-20(14-28)22(26-27(21)3)25-19-10-8-17(9-11-19)16-4-6-18(7-5-16)23(30)24-2;1-15(29)28-12-11-21-20(14-28)22(26-27(21)3)25-19-9-7-16(8-10-19)17-5-4-6-18(13-17)23(30)24-2;1-15(28)26-11-10-21-20(13-26)22(24-25(21)2)23-19-8-6-17(7-9-19)18-5-3-4-16(12-18)14-27/h4-11H,12-14H2,1-3H3,(H,24,30)(H,25,26);4-10,13H,11-12,14H2,1-3H3,(H,24,30)(H,25,26);3-9,12,27H,10-11,13-14H2,1-2H3,(H,23,24).

What are the key properties of 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone?

3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone has a molecular weight of 1183.43 g/mol, XLogP of 9.42, 12 rotatable bonds, 6 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;4-[4-[(5-acetyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl)amino]phenyl]-N-methylbenzamide;1-[3-[4-[3-(hydroxymethyl)phenyl]anilino]-1-methyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-5-yl]ethanone is sourced from PubChem (CID 145092205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).