4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

C127H139F12N23O18 — CID 161046442

About 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 161046442) has the molecular formula C127H139F12N23O18 and a molecular weight of 2503.63 g/mol. Its IUPAC name is 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

Molecular Properties

• Compound Name: 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 161046442
• Molecular Formula: C127H139F12N23O18
• Molecular Weight: 2503.63 g/mol
• Exact Mass: 2502.05
• IUPAC Name: 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• SMILES: CCN(Cc1ccncc1)C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COCCN(CCOC)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)N2CCC(N3CCCC3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCCCC2CN(C)C)c1
• InChI: InChI=1S/C33H37F3N6O4.C32H37F3N6O4.C32H31F3N6O4.C30H34F3N5O6/c1-38(2)30(43)21-6-8-23(9-7-21)41-19-14-25-28(32(41)45)42(37-29(25)33(34,35)36)27-11-10-24(46-3)20-26(27)31(44)40-17-12-22(13-18-40)39-15-4-5-16-39;1-37(2)19-22-8-6-7-16-39(22)30(43)25-18-23(45-5)13-14-26(25)41-27-24(28(36-41)32(33,34)35)15-17-40(31(27)44)21-11-9-20(10-12-21)29(42)38(3)4;1-5-39(19-20-12-15-36-16-13-20)30(43)25-18-23(45-4)10-11-26(25)41-27-24(28(37-41)32(33,34)35)14-17-40(31(27)44)22-8-6-21(7-9-22)29(42)38(2)3;1-35(2)27(39)19-6-8-20(9-7-19)37-13-12-22-25(29(37)41)38(34-26(22)30(31,32)33)24-11-10-21(44-5)18-23(24)28(40)36(14-16-42-3)15-17-43-4/h6-11,20,22H,4-5,12-19H2,1-3H3;9-14,18,22H,6-8,15-17,19H2,1-5H3;6-13,15-16,18H,5,14,17,19H2,1-4H3;6-11,18H,12-17H2,1-5H3
• InChIKey: UBOFOTRVHJPGOA-UHFFFAOYSA-N
• XLogP: 17.27
• TPSA: 389.75 Ų
• H-Bond Acceptors: 29
• Rotatable Bonds: 32
• Heavy Atoms: 180
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2503.63
LogP ≤ 5	17.27
H-Bond Donors ≤ 5	0
H-Bond Acceptors ≤ 10	29

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The IUPAC name of 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 161046442) is 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide.

What is the SMILES notation for 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The canonical SMILES for 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is CCN(Cc1ccncc1)C(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COCCN(CCOC)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)N2CCC(N3CCCC3)CC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCCCC2CN(C)C)c1.

What is the InChIKey of 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The InChIKey is UBOFOTRVHJPGOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H37F3N6O4.C32H37F3N6O4.C32H31F3N6O4.C30H34F3N5O6/c1-38(2)30(43)21-6-8-23(9-7-21)41-19-14-25-28(32(41)45)42(37-29(25)33(34,35)36)27-11-10-24(46-3)20-26(27)31(44)40-17-12-22(13-18-40)39-15-4-5-16-39;1-37(2)19-22-8-6-7-16-39(22)30(43)25-18-23(45-5)13-14-26(25)41-27-24(28(36-41)32(33,34)35)15-17-40(31(27)44)21-11-9-20(10-12-21)29(42)38(3)4;1-5-39(19-20-12-15-36-16-13-20)30(43)25-18-23(45-4)10-11-26(25)41-27-24(28(37-41)32(33,34)35)14-17-40(31(27)44)22-8-6-21(7-9-22)29(42)38(2)3;1-35(2)27(39)19-6-8-20(9-7-19)37-13-12-22-25(29(37)41)38(34-26(22)30(31,32)33)24-11-10-21(44-5)18-23(24)28(40)36(14-16-42-3)15-17-43-4/h6-11,20,22H,4-5,12-19H2,1-3H3;9-14,18,22H,6-8,15-17,19H2,1-5H3;6-13,15-16,18H,5,14,17,19H2,1-4H3;6-11,18H,12-17H2,1-5H3.

What are the key properties of 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 2503.63 g/mol, XLogP of 17.27, 32 rotatable bonds, 0 hydrogen bond donors, and 29 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[2-[(dimethylamino)methyl]piperidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-N-ethyl-5-methoxy-N-(pyridin-4-ylmethyl)benzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N,N-bis(2-methoxyethyl)benzamide;4-[1-[4-methoxy-2-(4-pyrrolidin-1-ylpiperidine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 161046442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).