N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide

C133H142F12N26O23 — CID 161271870

About N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide

N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide (PubChem CID 161271870) has the molecular formula C133H142F12N26O23 and a molecular weight of 2700.73 g/mol. Its IUPAC name is N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide.

Molecular Properties

• Compound Name: N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide
• PubChem CID: 161271870
• Molecular Formula: C133H142F12N26O23
• Molecular Weight: 2700.73 g/mol
• Exact Mass: 2699.05
• IUPAC Name: N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide
• SMILES: CCCNC(=O)[C@H](CCCN)NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COCCNC(=O)CCCNC(=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)NCC(=O)NCc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](CCCN)C(=O)NCc2ccc3c(c2)OCO3)c1
• InChI: InChI=1S/C37H38F3N7O7.C33H31F3N6O5.C32H38F3N7O5.C31H35F3N6O6/c1-45(2)35(50)22-7-9-23(10-8-22)46-16-14-25-31(36(46)51)47(44-32(25)37(38,39)40)28-12-11-24(52-3)18-26(28)33(48)43-27(5-4-15-41)34(49)42-19-21-6-13-29-30(17-21)54-20-53-29;1-40(2)31(45)21-9-11-22(12-10-21)41-16-15-24-28(32(41)46)42(39-29(24)33(34,35)36)26-14-13-23(47-3)17-25(26)30(44)38-19-27(43)37-18-20-7-5-4-6-8-20;1-5-16-37-29(44)24(7-6-15-36)38-28(43)23-18-21(47-4)12-13-25(23)42-26-22(27(39-42)32(33,34)35)14-17-41(31(26)46)20-10-8-19(9-11-20)30(45)40(2)3;1-38(2)29(43)19-7-9-20(10-8-19)39-16-13-22-26(30(39)44)40(37-27(22)31(32,33)34)24-12-11-21(46-4)18-23(24)28(42)36-14-5-6-25(41)35-15-17-45-3/h6-13,17-18,27H,4-5,14-16,19-20,41H2,1-3H3,(H,42,49)(H,43,48);4-14,17H,15-16,18-19H2,1-3H3,(H,37,43)(H,38,44);8-13,18,24H,5-7,14-17,36H2,1-4H3,(H,37,44)(H,38,43);7-12,18H,5-6,13-17H2,1-4H3,(H,35,41)(H,36,42)/t27-;;24-;/m0.0./s1
• InChIKey: VDXUAQZPANJAIX-QDLVVRKWSA-N
• XLogP: 13.78
• TPSA: 583.21 Ų
• H-Bond Donors: 10
• H-Bond Acceptors: 33
• Rotatable Bonds: 45
• Heavy Atoms: 194
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2700.73
LogP ≤ 5	13.78
H-Bond Donors ≤ 5	10
H-Bond Acceptors ≤ 10	33

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide?

The IUPAC name of N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide (CID 161271870) is N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide.

What is the SMILES notation for N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide?

The canonical SMILES for N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide is CCCNC(=O)[C@H](CCCN)NC(=O)c1cc(OC)ccc1-n1nc(C(F)(F)F)c2c1C(=O)N(c1ccc(C(=O)N(C)C)cc1)CC2.COCCNC(=O)CCCNC(=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)NCC(=O)NCc2ccccc2)c1.COc1ccc(-n2nc(C(F)(F)F)c3c2C(=O)N(c2ccc(C(=O)N(C)C)cc2)CC3)c(C(=O)N[C@@H](CCCN)C(=O)NCc2ccc3c(c2)OCO3)c1.

What is the InChIKey of N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide?

The InChIKey is VDXUAQZPANJAIX-QDLVVRKWSA-N. The full InChI is InChI=1S/C37H38F3N7O7.C33H31F3N6O5.C32H38F3N7O5.C31H35F3N6O6/c1-45(2)35(50)22-7-9-23(10-8-22)46-16-14-25-31(36(46)51)47(44-32(25)37(38,39)40)28-12-11-24(52-3)18-26(28)33(48)43-27(5-4-15-41)34(49)42-19-21-6-13-29-30(17-21)54-20-53-29;1-40(2)31(45)21-9-11-22(12-10-21)41-16-15-24-28(32(41)46)42(39-29(24)33(34,35)36)26-14-13-23(47-3)17-25(26)30(44)38-19-27(43)37-18-20-7-5-4-6-8-20;1-5-16-37-29(44)24(7-6-15-36)38-28(43)23-18-21(47-4)12-13-25(23)42-26-22(27(39-42)32(33,34)35)14-17-41(31(26)46)20-10-8-19(9-11-20)30(45)40(2)3;1-38(2)29(43)19-7-9-20(10-8-19)39-16-13-22-26(30(39)44)40(37-27(22)31(32,33)34)24-12-11-21(46-4)18-23(24)28(42)36-14-5-6-25(41)35-15-17-45-3/h6-13,17-18,27H,4-5,14-16,19-20,41H2,1-3H3,(H,42,49)(H,43,48);4-14,17H,15-16,18-19H2,1-3H3,(H,37,43)(H,38,44);8-13,18,24H,5-7,14-17,36H2,1-4H3,(H,37,44)(H,38,43);7-12,18H,5-6,13-17H2,1-4H3,(H,35,41)(H,36,42)/t27-;;24-;/m0.0./s1.

What are the key properties of N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide?

N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide has a molecular weight of 2700.73 g/mol, XLogP of 13.78, 45 rotatable bonds, 10 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S)-5-amino-1-(1,3-benzodioxol-5-ylmethylamino)-1-oxopentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[(2S)-5-amino-1-oxo-1-(propylamino)pentan-2-yl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;N-[2-(benzylamino)-2-oxoethyl]-2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxybenzamide;2-[6-[4-(dimethylcarbamoyl)phenyl]-7-oxo-3-(trifluoromethyl)-4,5-dihydropyrazolo[5,4-c]pyridin-1-yl]-5-methoxy-N-[4-(2-methoxyethylamino)-4-oxobutyl]benzamide is sourced from PubChem (CID 161271870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).