3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one

C110H140N22O11 — CID 159418196

About 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one

3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one (PubChem CID 159418196) has the molecular formula C110H140N22O11 and a molecular weight of 1946.47 g/mol. Its IUPAC name is 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one.

Molecular Properties

• Compound Name: 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one
• PubChem CID: 159418196
• Molecular Formula: C110H140N22O11
• Molecular Weight: 1946.47 g/mol
• Exact Mass: 1945.11
• IUPAC Name: 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one
• SMILES: CC(=O)N1CCc2c(c(Nc3cccc(C(=O)CC(C)C)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C(=O)CC4CC4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C(=O)N(C)C)c3)nn2CC2CC2)C1.CCC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1.COCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1
• InChI: InChI=1S/C23H28N4O2.C23H30N4O2.C22H29N5O3.C21H27N5O2.C21H26N4O2/c1-15(28)26-10-9-21-20(14-26)23(25-27(21)13-17-7-8-17)24-19-4-2-3-18(12-19)22(29)11-16-5-6-16;1-15(2)11-22(29)18-5-4-6-19(12-18)24-23-20-14-26(16(3)28)10-9-21(20)27(25-23)13-17-7-8-17;1-15(28)26-10-8-20-19(14-26)21(25-27(20)13-16-6-7-16)24-18-5-3-4-17(12-18)22(29)23-9-11-30-2;1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3;1-3-20(27)16-5-4-6-17(11-16)22-21-18-13-24(14(2)26)10-9-19(18)25(23-21)12-15-7-8-15/h2-4,12,16-17H,5-11,13-14H2,1H3,(H,24,25);4-6,12,15,17H,7-11,13-14H2,1-3H3,(H,24,25);3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,25);4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23);4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,22,23)
• InChIKey: LPKVNYPIOUCLBD-UHFFFAOYSA-N
• XLogP: 16.59
• TPSA: 360.65 Ų
• H-Bond Donors: 6
• H-Bond Acceptors: 26
• Rotatable Bonds: 33
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1946.47
LogP ≤ 5	16.59
H-Bond Donors ≤ 5	6
H-Bond Acceptors ≤ 10	26

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one?

The IUPAC name of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one (CID 159418196) is 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one.

What is the SMILES notation for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one?

The canonical SMILES for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one is CC(=O)N1CCc2c(c(Nc3cccc(C(=O)CC(C)C)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C(=O)CC4CC4)c3)nn2CC2CC2)C1.CC(=O)N1CCc2c(c(Nc3cccc(C(=O)N(C)C)c3)nn2CC2CC2)C1.CCC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1.COCCNC(=O)c1cccc(Nc2nn(CC3CC3)c3c2CN(C(C)=O)CC3)c1.

What is the InChIKey of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one?

The InChIKey is LPKVNYPIOUCLBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28N4O2.C23H30N4O2.C22H29N5O3.C21H27N5O2.C21H26N4O2/c1-15(28)26-10-9-21-20(14-26)23(25-27(21)13-17-7-8-17)24-19-4-2-3-18(12-19)22(29)11-16-5-6-16;1-15(2)11-22(29)18-5-4-6-19(12-18)24-23-20-14-26(16(3)28)10-9-21(20)27(25-23)13-17-7-8-17;1-15(28)26-10-8-20-19(14-26)21(25-27(20)13-16-6-7-16)24-18-5-3-4-17(12-18)22(29)23-9-11-30-2;1-14(27)25-10-9-19-18(13-25)20(23-26(19)12-15-7-8-15)22-17-6-4-5-16(11-17)21(28)24(2)3;1-3-20(27)16-5-4-6-17(11-16)22-21-18-13-24(14(2)26)10-9-19(18)25(23-21)12-15-7-8-15/h2-4,12,16-17H,5-11,13-14H2,1H3,(H,24,25);4-6,12,15,17H,7-11,13-14H2,1-3H3,(H,24,25);3-5,12,16H,6-11,13-14H2,1-2H3,(H,23,29)(H,24,25);4-6,11,15H,7-10,12-13H2,1-3H3,(H,22,23);4-6,11,15H,3,7-10,12-13H2,1-2H3,(H,22,23).

What are the key properties of 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one?

3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one has a molecular weight of 1946.47 g/mol, XLogP of 16.59, 33 rotatable bonds, 6 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N,N-dimethylbenzamide;3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]-N-(2-methoxyethyl)benzamide;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-2-cyclopropylethanone;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]-3-methylbutan-1-one;1-[3-[[5-acetyl-1-(cyclopropylmethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]amino]phenyl]propan-1-one is sourced from PubChem (CID 159418196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).