4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

C133H139F12N23O17 — CID 158864324

About 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide

4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (PubChem CID 158864324) has the molecular formula C133H139F12N23O17 and a molecular weight of 2559.69 g/mol. Its IUPAC name is 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-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-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• PubChem CID: 158864324
• Molecular Formula: C133H139F12N23O17
• Molecular Weight: 2559.69 g/mol
• Exact Mass: 2558.05
• IUPAC Name: 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide
• SMILES: COC[C@@H]1CCCN1C(=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[C@H]2CN2CCCC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCC[C@H]2CNc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccccc3)C(C)C2)c1
• InChI: InChI=1S/2C35H35F3N6O4.C33H37F3N6O4.C30H32F3N5O5/c1-22-21-41(18-19-42(22)24-8-6-5-7-9-24)33(46)28-20-26(48-4)14-15-29(28)44-30-27(31(39-44)35(36,37)38)16-17-43(34(30)47)25-12-10-23(11-13-25)32(45)40(2)3;1-41(2)32(45)22-11-13-24(14-12-22)43-19-17-27-30(34(43)47)44(40-31(27)35(36,37)38)29-16-15-26(48-3)20-28(29)33(46)42-18-7-10-25(42)21-39-23-8-5-4-6-9-23;1-38(2)30(43)21-8-10-22(11-9-21)41-18-14-25-28(32(41)45)42(37-29(25)33(34,35)36)27-13-12-24(46-3)19-26(27)31(44)40-17-6-7-23(40)20-39-15-4-5-16-39;1-35(2)27(39)18-7-9-19(10-8-18)37-15-13-22-25(29(37)41)38(34-26(22)30(31,32)33)24-12-11-21(43-4)16-23(24)28(40)36-14-5-6-20(36)17-42-3/h5-15,20,22H,16-19,21H2,1-4H3;4-6,8-9,11-16,20,25,39H,7,10,17-19,21H2,1-3H3;8-13,19,23H,4-7,14-18,20H2,1-3H3;7-12,16,20H,5-6,13-15,17H2,1-4H3/t;25-;23-;20-/m.000/s1
• InChIKey: JBAQOBUCMKVPCH-YDABODMUSA-N
• XLogP: 19.24
• TPSA: 379.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 28
• Rotatable Bonds: 28
• Heavy Atoms: 185
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2559.69
LogP ≤ 5	19.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	28

Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-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-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide (CID 158864324) is 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-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-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-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-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is COC[C@@H]1CCCN1C(=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[C@H]2CN2CCCC2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCC[C@H]2CNc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N2CCN(c3ccccc3)C(C)C2)c1.

What is the InChIKey of 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

The InChIKey is JBAQOBUCMKVPCH-YDABODMUSA-N. The full InChI is InChI=1S/2C35H35F3N6O4.C33H37F3N6O4.C30H32F3N5O5/c1-22-21-41(18-19-42(22)24-8-6-5-7-9-24)33(46)28-20-26(48-4)14-15-29(28)44-30-27(31(39-44)35(36,37)38)16-17-43(34(30)47)25-12-10-23(11-13-25)32(45)40(2)3;1-41(2)32(45)22-11-13-24(14-12-22)43-19-17-27-30(34(43)47)44(40-31(27)35(36,37)38)29-16-15-26(48-3)20-28(29)33(46)42-18-7-10-25(42)21-39-23-8-5-4-6-9-23;1-38(2)30(43)21-8-10-22(11-9-21)41-18-14-25-28(32(41)45)42(37-29(25)33(34,35)36)27-13-12-24(46-3)19-26(27)31(44)40-17-6-7-23(40)20-39-15-4-5-16-39;1-35(2)27(39)18-7-9-19(10-8-18)37-15-13-22-25(29(37)41)38(34-26(22)30(31,32)33)24-12-11-21(43-4)16-23(24)28(40)36-14-5-6-20(36)17-42-3/h5-15,20,22H,16-19,21H2,1-4H3;4-6,8-9,11-16,20,25,39H,7,10,17-19,21H2,1-3H3;8-13,19,23H,4-7,14-18,20H2,1-3H3;7-12,16,20H,5-6,13-15,17H2,1-4H3/t;25-;23-;20-/m.000/s1.

What are the key properties of 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide?

4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide has a molecular weight of 2559.69 g/mol, XLogP of 19.24, 28 rotatable bonds, 1 hydrogen bond donors, and 28 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[1-[2-[(2S)-2-(anilinomethyl)pyrrolidine-1-carbonyl]-4-methoxyphenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(methoxymethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-(3-methyl-4-phenylpiperazine-1-carbonyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide;4-[1-[4-methoxy-2-[(2S)-2-(pyrrolidin-1-ylmethyl)pyrrolidine-1-carbonyl]phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-6-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 158864324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).