N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide

C125H133F12N23O16 — CID 158649909

About N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide

N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide (PubChem CID 158649909) has the molecular formula C125H133F12N23O16 and a molecular weight of 2441.56 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide.

Molecular Properties

• Compound Name: N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide
• PubChem CID: 158649909
• Molecular Formula: C125H133F12N23O16
• Molecular Weight: 2441.56 g/mol
• Exact Mass: 2440.01
• IUPAC Name: N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide
• SMILES: C#CCN(C)C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.CCN(CCN(C)C)C(=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)N(C)C2CCN(C)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1
• InChI: InChI=1S/C36H37F3N6O4.C31H35F3N6O4.C30H35F3N6O4.C28H26F3N5O4/c1-42(2)34(47)24-9-11-26(12-10-24)44-20-17-28-31(35(44)48)45(41-32(28)36(37,38)39)30-14-13-27(49-3)21-29(30)33(46)40-25-15-18-43(19-16-25)22-23-7-5-4-6-8-23;1-36(2)28(41)19-6-8-21(9-7-19)39-17-14-23-26(30(39)43)40(35-27(23)31(32,33)34)25-11-10-22(44-5)18-24(25)29(42)38(4)20-12-15-37(3)16-13-20;1-7-37(17-16-35(2)3)28(41)23-18-21(43-6)12-13-24(23)39-25-22(26(34-39)30(31,32)33)14-15-38(29(25)42)20-10-8-19(9-11-20)27(40)36(4)5;1-6-14-34(4)26(38)21-16-19(40-5)11-12-22(21)36-23-20(24(32-36)28(29,30)31)13-15-35(27(23)39)18-9-7-17(8-10-18)25(37)33(2)3/h4-14,21,25H,15-20,22H2,1-3H3,(H,40,46);6-11,18,20H,12-17H2,1-5H3;8-13,18H,7,14-17H2,1-6H3;1,7-12,16H,13-15H2,2-5H3
• InChIKey: IBKOPUFKDWNOQA-UHFFFAOYSA-N
• XLogP: 16.51
• TPSA: 370.43 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 27
• Rotatable Bonds: 29
• Heavy Atoms: 176
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2441.56
LogP ≤ 5	16.51
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	27

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide?

The IUPAC name of N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide (CID 158649909) is N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide.

What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide?

The canonical SMILES for N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide is C#CCN(C)C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.CCN(CCN(C)C)C(=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)N(C)C2CCN(C)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)NC2CCN(Cc3ccccc3)CC2)c1.

What is the InChIKey of N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide?

The InChIKey is IBKOPUFKDWNOQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H37F3N6O4.C31H35F3N6O4.C30H35F3N6O4.C28H26F3N5O4/c1-42(2)34(47)24-9-11-26(12-10-24)44-20-17-28-31(35(44)48)45(41-32(28)36(37,38)39)30-14-13-27(49-3)21-29(30)33(46)40-25-15-18-43(19-16-25)22-23-7-5-4-6-8-23;1-36(2)28(41)19-6-8-21(9-7-19)39-17-14-23-26(30(39)43)40(35-27(23)31(32,33)34)25-11-10-22(44-5)18-24(25)29(42)38(4)20-12-15-37(3)16-13-20;1-7-37(17-16-35(2)3)28(41)23-18-21(43-6)12-13-24(23)39-25-22(26(34-39)30(31,32)33)14-15-38(29(25)42)20-10-8-19(9-11-20)27(40)36(4)5;1-6-14-34(4)26(38)21-16-19(40-5)11-12-22(21)36-23-20(24(32-36)28(29,30)31)13-15-35(27(23)39)18-9-7-17(8-10-18)25(37)33(2)3/h4-14,21,25H,15-20,22H2,1-3H3,(H,40,46);6-11,18,20H,12-17H2,1-5H3;8-13,18H,7,14-17H2,1-6H3;1,7-12,16H,13-15H2,2-5H3.

What are the key properties of N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide?

N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide has a molecular weight of 2441.56 g/mol, XLogP of 16.51, 29 rotatable bonds, 1 hydrogen bond donors, and 27 hydrogen bond acceptors.

Where does this data come from?

All data for N-(1-benzylpiperidin-4-yl)-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(dimethylamino)ethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-(1-methylpiperidin-4-yl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-methyl-N-prop-2-ynylbenzamide is sourced from PubChem (CID 158649909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).