2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide

C128H127F12N21O17 — CID 158677155

About 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide (PubChem CID 158677155) has the molecular formula C128H127F12N21O17 and a molecular weight of 2459.53 g/mol. Its IUPAC name is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide.

Molecular Properties

• Compound Name: 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide
• PubChem CID: 158677155
• Molecular Formula: C128H127F12N21O17
• Molecular Weight: 2459.53 g/mol
• Exact Mass: 2457.95
• IUPAC Name: 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide
• SMILES: CCC[C@]12CCN1CC2NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)(C)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(C)o2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@H](C)c2ccc(C)cc2)c1
• InChI: InChI=1S/2C33H32F3N5O4.C32H35F3N6O4.C30H28F3N5O5/c1-19-6-8-21(9-7-19)20(2)37-30(42)26-18-24(45-5)14-15-27(26)41-28-25(29(38-41)33(34,35)36)16-17-40(32(28)44)23-12-10-22(11-13-23)31(43)39(3)4;1-32(2,21-9-7-6-8-10-21)37-29(42)25-19-23(45-5)15-16-26(25)41-27-24(28(38-41)33(34,35)36)17-18-40(31(27)44)22-13-11-20(12-14-22)30(43)39(3)4;1-5-13-31-14-16-39(31)18-25(31)36-28(42)23-17-21(45-4)10-11-24(23)41-26-22(27(37-41)32(33,34)35)12-15-40(30(26)44)20-8-6-19(7-9-20)29(43)38(2)3;1-17-5-10-21(43-17)16-34-27(39)23-15-20(42-4)11-12-24(23)38-25-22(26(35-38)30(31,32)33)13-14-37(29(25)41)19-8-6-18(7-9-19)28(40)36(2)3/h6-15,18,20H,16-17H2,1-5H3,(H,37,42);6-16,19H,17-18H2,1-5H3,(H,37,42);6-11,17,25H,5,12-16,18H2,1-4H3,(H,36,42);5-12,15H,13-14,16H2,1-4H3,(H,34,39)/t20-;;25?,31-;/m1.1./s1
• InChIKey: IEQXSVNOBIVOED-LYYZHJAUSA-N
• XLogP: 19.87
• TPSA: 403.46 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 26
• Rotatable Bonds: 29
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2459.53
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	26

Frequently Asked Questions

What is the IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide?

The IUPAC name of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide (CID 158677155) is 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide.

What is the SMILES notation for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide?

The canonical SMILES for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide is CCC[C@]12CCN1CC2NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC(C)(C)c2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NCc2ccc(C)o2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@H](C)c2ccc(C)cc2)c1.

What is the InChIKey of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide?

The InChIKey is IEQXSVNOBIVOED-LYYZHJAUSA-N. The full InChI is InChI=1S/2C33H32F3N5O4.C32H35F3N6O4.C30H28F3N5O5/c1-19-6-8-21(9-7-19)20(2)37-30(42)26-18-24(45-5)14-15-27(26)41-28-25(29(38-41)33(34,35)36)16-17-40(32(28)44)23-12-10-22(11-13-23)31(43)39(3)4;1-32(2,21-9-7-6-8-10-21)37-29(42)25-19-23(45-5)15-16-26(25)41-27-24(28(38-41)33(34,35)36)17-18-40(31(27)44)22-13-11-20(12-14-22)30(43)39(3)4;1-5-13-31-14-16-39(31)18-25(31)36-28(42)23-17-21(45-4)10-11-24(23)41-26-22(27(37-41)32(33,34)35)12-15-40(30(26)44)20-8-6-19(7-9-20)29(43)38(2)3;1-17-5-10-21(43-17)16-34-27(39)23-15-20(42-4)11-12-24(23)38-25-22(26(35-38)30(31,32)33)13-14-37(29(25)41)19-8-6-18(7-9-19)28(40)36(2)3/h6-15,18,20H,16-17H2,1-5H3,(H,37,42);6-16,19H,17-18H2,1-5H3,(H,37,42);6-11,17,25H,5,12-16,18H2,1-4H3,(H,36,42);5-12,15H,13-14,16H2,1-4H3,(H,34,39)/t20-;;25?,31-;/m1.1./s1.

What are the key properties of 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide?

2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide has a molecular weight of 2459.53 g/mol, XLogP of 19.87, 29 rotatable bonds, 4 hydrogen bond donors, and 26 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(5-methylfuran-2-yl)methyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(1R)-1-(4-methylphenyl)ethyl]benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-(2-phenylpropan-2-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[(4R)-4-propyl-1-azabicyclo[2.2.0]hexan-3-yl]benzamide is sourced from PubChem (CID 158677155), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).