4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

C127H142F3N27O13 — CID 167663700

IUPAC4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccn4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ncccn4)CN3)C2)cc1
InChIInChI=1S/C33H35F3N6O4.C33H38N6O3.C31H35N7O3.C30H34N8O3/c1-41-28-12-9-21(14-26(28)39-40-41)17-38-31(43)29-15-22(13-20-7-10-24(45-2)11-8-20)19-42(29)32(44)27-16-23(18-37-27)25-5-3-4-6-30(25)46-33(34,35)36;1-37-21-26(25-7-5-4-6-8-25)18-31(37)33(41)39-20-24(15-22-9-12-27(42-3)13-10-22)17-30(39)32(40)34-19-23-11-14-29-28(16-23)35-36-38(29)2;1-37-28-11-8-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-6-9-24(41-2)10-7-20)19-38(29)31(40)27-16-23(18-33-27)25-5-3-4-12-32-25;1-37-26-9-6-20(13-24(26)35-36-37)16-34-29(39)27-14-21(12-19-4-7-23(41-2)8-5-19)18-38(27)30(40)25-15-22(17-33-25)28-31-10-3-11-32-28/h3-12,14,22-23,27,29,37H,13,15-19H2,1-2H3,(H,38,43);4-14,16,24,26,30-31H,15,17-21H2,1-3H3,(H,34,40);3-12,14,22-23,27,29,33H,13,15-19H2,1-2H3,(H,34,39);3-11,13,21-22,25,27,33H,12,14-18H2,1-2H3,(H,34,39)
InChIKeySIAQXFCBHZKXMY-UHFFFAOYSA-N
MW2311.70 g/mol
LogP12.22
Rot. Bonds33

About 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide

4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (PubChem CID 167663700) has the molecular formula C127H142F3N27O13 and a molecular weight of 2311.70 g/mol. Its IUPAC name is 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
PubChem CID167663700
Molecular FormulaC127H142F3N27O13
Molecular Weight2311.70 g/mol
Exact Mass2310.12
IUPAC Name4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
SMILESCOc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccn4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ncccn4)CN3)C2)cc1
InChIInChI=1S/C33H35F3N6O4.C33H38N6O3.C31H35N7O3.C30H34N8O3/c1-41-28-12-9-21(14-26(28)39-40-41)17-38-31(43)29-15-22(13-20-7-10-24(45-2)11-8-20)19-42(29)32(44)27-16-23(18-37-27)25-5-3-4-6-30(25)46-33(34,35)36;1-37-21-26(25-7-5-4-6-8-25)18-31(37)33(41)39-20-24(15-22-9-12-27(42-3)13-10-22)17-30(39)32(40)34-19-23-11-14-29-28(16-23)35-36-38(29)2;1-37-28-11-8-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-6-9-24(41-2)10-7-20)19-38(29)31(40)27-16-23(18-33-27)25-5-3-4-12-32-25;1-37-26-9-6-20(13-24(26)35-36-37)16-34-29(39)27-14-21(12-19-4-7-23(41-2)8-5-19)18-38(27)30(40)25-15-22(17-33-25)28-31-10-3-11-32-28/h3-12,14,22-23,27,29,37H,13,15-19H2,1-2H3,(H,38,43);4-14,16,24,26,30-31H,15,17-21H2,1-3H3,(H,34,40);3-12,14,22-23,27,29,33H,13,15-19H2,1-2H3,(H,34,39);3-11,13,21-22,25,27,33H,12,14-18H2,1-2H3,(H,34,39)
InChIKeySIAQXFCBHZKXMY-UHFFFAOYSA-N
XLogP12.22
TPSA444.63 Ų
H-Bond Donors7
H-Bond Acceptors32
Rotatable Bonds33
Heavy Atoms170
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002311.70
LogP ≤ 512.22
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1032

Analyze 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide with MolForge

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Related Compounds

Targaprimir-96
CID 90479856
2-[(11S,14R,17S,20S,23S,26S,29S,35S,38S)-11-(4-aminobutyl)-38-carbamoyl-17-[(5-fluoro-1H-indol-3-yl)methyl]-20-[(6-fluoro-1H-indol-3-yl)methyl]-26-(1H-imidazol-5-ylmethyl)-29-[(4-methoxyphenyl)methyl]-14,35-dimethyl-9,12,15,18,21,24,27,30,36-nonaoxo-2,3,4,10,13,16,19,22,25,28,31,37-dodecazatetracyclo[38.2.2.12,5.031,35]pentatetraconta-1(43),3,5(45),40(44),41-pentaen-23-yl]acetic acid
CID 163527093
2-[(8S,11S,14R,17S,20S,23S,26S,29S,35S,38S)-8-acetamido-11-(4-aminobutyl)-38-carbamoyl-17,20-bis[(5-fluoro-1H-indol-3-yl)methyl]-26-(1H-imidazol-5-ylmethyl)-29-[(4-methoxyphenyl)methyl]-14,35-dimethyl-9,12,15,18,21,24,27,30,36-nonaoxo-2,3,4,10,13,16,19,22,25,28,31,37-dodecazatetracyclo[38.2.2.12,5.031,35]pentatetraconta-1(43),3,5(45),40(44),41-pentaen-23-yl]acetic acid
CID 166611926
2-[(8R,11S,14S,17S,20S,23S,26S,32S,35S)-8-acetamido-35-carbamoyl-14,17-bis[(5-fluoro-1H-indol-3-yl)methyl]-23-(1H-imidazol-4-ylmethyl)-26-[(4-methoxyphenyl)methyl]-11,32-dimethyl-9,12,15,18,21,24,27,33-octaoxo-2,3,4,10,13,16,19,22,25,28,34-undecazatetracyclo[35.2.2.12,5.028,32]dotetraconta-1(40),3,5(42),37(41),38-pentaen-20-yl]acetic acid
CID 166611943
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[[2-[[2-[[2-[[1-[3-[4-[3-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[4-[6-[5-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 162644742
N-[3-[4-[[[2-[[2-[[2-[[2-[[2-[(2-amino-2-oxoethyl)-[[1-[3-[4-[2,6-ditert-butyl-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl]amino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]-propylamino]-2-oxoethyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 171347279
2-[[1-[3-[4-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methyl-[2-[[2-[[2-[[2-[[1-[3-[4-[4-[6-[4-(4-methylpiperazin-1-yl)phenyl]-1H-benzimidazol-2-yl]phenoxy]butanoylamino]propyl]triazol-4-yl]methylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]-propylamino]acetyl]amino]acetic acid
CID 171348077
N-[3-[4-[[(2-amino-2-oxoethyl)-[2-[[2-[4-[3-[6-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]-1H-benzimidazol-2-yl]phenoxy]butanoyl-prop-2-enylamino]acetyl]-prop-2-enylamino]acetyl]amino]methyl]triazol-1-yl]propyl]-4-[2,6-ditert-butyl-4-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]phenoxy]butanamide
CID 171356871
1-Ethyl-3-[4-[6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-6-[1-[2-[4-[[4-(3-fluoro-4-methoxyphenyl)-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]piperidin-3-yl]-5-methylpyrimidin-2-yl]amino]pyrazol-1-yl]acetyl]pyrrolidin-2-yl]-5-methyl-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]phenyl]urea
CID 123201217
2-[(8R,11S,14S,17S,20S,23S,26S,32S,35S)-8-acetamido-35-carbamoyl-14,17-bis[(5-fluoro-1H-indol-3-yl)methyl]-23-(1H-imidazol-5-ylmethyl)-26-[(4-methoxyphenyl)methyl]-11,32-dimethyl-9,12,15,18,21,24,27,33-octaoxo-2,3,4,10,13,16,19,22,25,28,34-undecazatetracyclo[35.2.2.12,5.028,32]dotetraconta-1(40),3,5(42),37(41),38-pentaen-20-yl]acetic acid
CID 157157804
(2S)-N-[(1S)-2-[(2S)-2-[8-(2-fluorophenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-N-[(1S)-2-[(2S)-2-[8-(2-methoxyphenyl)imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]-2-(methylamino)propanamide;(2S)-2-(methylamino)-N-[(1S)-2-[(2S)-2-(6-methyl-8-phenylimidazo[1,2-a]pyridin-2-yl)pyrrolidin-1-yl]-1-(oxan-4-yl)-2-oxoethyl]propanamide;(2S)-2-(methylamino)-N-[(1S)-1-(oxan-4-yl)-2-oxo-2-[(2S)-2-[8-[2-(trifluoromethyl)phenyl]imidazo[1,2-a]pyridin-2-yl]pyrrolidin-1-yl]ethyl]propanamide
CID 157984735
3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N,N-dimethylbenzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(1S)-1-(4-methoxyphenyl)ethyl]benzamide;4-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[(4-methoxyphenyl)methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethoxy)phenyl]methyl]benzamide;3-(8-amino-2-piperidin-3-ylimidazo[1,2-a]pyrazin-5-yl)-N-[[4-(trifluoromethyl)phenyl]methyl]benzamide;3-(1-methylpyrazol-4-yl)-2-pyrrolidin-3-ylimidazo[1,2-a]pyrazin-8-amine
CID 158278593

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The IUPAC name of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide (CID 167663700) is 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide.
What is the SMILES notation for 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The canonical SMILES for 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4)CN3C)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccc4OC(F)(F)F)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ccccn4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(c4ncccn4)CN3)C2)cc1.
What is the InChIKey of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
The InChIKey is SIAQXFCBHZKXMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H35F3N6O4.C33H38N6O3.C31H35N7O3.C30H34N8O3/c1-41-28-12-9-21(14-26(28)39-40-41)17-38-31(43)29-15-22(13-20-7-10-24(45-2)11-8-20)19-42(29)32(44)27-16-23(18-37-27)25-5-3-4-6-30(25)46-33(34,35)36;1-37-21-26(25-7-5-4-6-8-25)18-31(37)33(41)39-20-24(15-22-9-12-27(42-3)13-10-22)17-30(39)32(40)34-19-23-11-14-29-28(16-23)35-36-38(29)2;1-37-28-11-8-21(14-26(28)35-36-37)17-34-30(39)29-15-22(13-20-6-9-24(41-2)10-7-20)19-38(29)31(40)27-16-23(18-33-27)25-5-3-4-12-32-25;1-37-26-9-6-20(13-24(26)35-36-37)16-34-29(39)27-14-21(12-19-4-7-23(41-2)8-5-19)18-38(27)30(40)25-15-22(17-33-25)28-31-10-3-11-32-28/h3-12,14,22-23,27,29,37H,13,15-19H2,1-2H3,(H,38,43);4-14,16,24,26,30-31H,15,17-21H2,1-3H3,(H,34,40);3-12,14,22-23,27,29,33H,13,15-19H2,1-2H3,(H,34,39);3-11,13,21-22,25,27,33H,12,14-18H2,1-2H3,(H,34,39).
What are the key properties of 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide?
4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide has a molecular weight of 2311.70 g/mol, XLogP of 12.22, 33 rotatable bonds, 7 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(1-methyl-4-phenylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyridin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-(4-pyrimidin-2-ylpyrrolidine-2-carbonyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[2-(trifluoromethoxy)phenyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide is sourced from PubChem (CID 167663700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).