1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

C115H151F4N31O12 — CID 167584172

IUPAC1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C1CCCCC1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCC(=O)N2CCCC2)C1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCC(F)C3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C35H42N8O3.C29H44N8O3.C28H36N8O3.C23H29F4N7O3/c1-41-31-11-9-27(20-30(31)39-40-41)23-38-34(45)32-21-28(19-25-13-15-36-16-14-25)24-43(32)35(46)29(37-22-26-7-3-2-4-8-26)10-12-33(44)42-17-5-6-18-42;1-34(21-8-4-3-5-9-21)22-17-26(28(39)31-18-20-10-12-25-24(16-20)32-33-35(25)2)37(19-22)29(40)23(30)11-13-27(38)36-14-6-7-15-36;1-34-24-6-4-20(15-23(24)32-33-34)17-31-27(38)25-16-21(14-19-8-10-30-11-9-19)18-36(25)28(39)22(29)5-7-26(37)35-12-2-3-13-35;1-32-18-4-2-13(8-17(18)30-31-32)10-29-21(36)19-9-14(23(25,26)27)11-34(19)22(37)16(28)3-5-20(35)33-7-6-15(24)12-33/h2-4,7-9,11,13-16,20,28-29,32,37H,5-6,10,12,17-19,21-24H2,1H3,(H,38,45);10,12,16,21-23,26H,3-9,11,13-15,17-19,30H2,1-2H3,(H,31,39);4,6,8-11,15,21-22,25H,2-3,5,7,12-14,16-18,29H2,1H3,(H,31,38);2,4,8,14-16,19H,3,5-7,9-12,28H2,1H3,(H,29,36)
InChIKeyHOKGHUGYNDMYSB-UHFFFAOYSA-N
MW2235.67 g/mol
LogP6.76
Rot. Bonds37

About 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide

1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (PubChem CID 167584172) has the molecular formula C115H151F4N31O12 and a molecular weight of 2235.67 g/mol. Its IUPAC name is 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.

Molecular Properties

Compound Name1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
PubChem CID167584172
Molecular FormulaC115H151F4N31O12
Molecular Weight2235.67 g/mol
Exact Mass2234.21
IUPAC Name1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
SMILESCN(C1CCCCC1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCC(=O)N2CCCC2)C1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCC(F)C3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21
InChIInChI=1S/C35H42N8O3.C29H44N8O3.C28H36N8O3.C23H29F4N7O3/c1-41-31-11-9-27(20-30(31)39-40-41)23-38-34(45)32-21-28(19-25-13-15-36-16-14-25)24-43(32)35(46)29(37-22-26-7-3-2-4-8-26)10-12-33(44)42-17-5-6-18-42;1-34(21-8-4-3-5-9-21)22-17-26(28(39)31-18-20-10-12-25-24(16-20)32-33-35(25)2)37(19-22)29(40)23(30)11-13-27(38)36-14-6-7-15-36;1-34-24-6-4-20(15-23(24)32-33-34)17-31-27(38)25-16-21(14-19-8-10-30-11-9-19)18-36(25)28(39)22(29)5-7-26(37)35-12-2-3-13-35;1-32-18-4-2-13(8-17(18)30-31-32)10-29-21(36)19-9-14(23(25,26)27)11-34(19)22(37)16(28)3-5-20(35)33-7-6-15(24)12-33/h2-4,7-9,11,13-16,20,28-29,32,37H,5-6,10,12,17-19,21-24H2,1H3,(H,38,45);10,12,16,21-23,26H,3-9,11,13-15,17-19,30H2,1-2H3,(H,31,39);4,6,8-11,15,21-22,25H,2-3,5,7,12-14,16-18,29H2,1H3,(H,31,38);2,4,8,14-16,19H,3,5-7,9-12,28H2,1H3,(H,29,36)
InChIKeyHOKGHUGYNDMYSB-UHFFFAOYSA-N
XLogP6.76
TPSA520.83 Ų
H-Bond Donors8
H-Bond Acceptors31
Rotatable Bonds37
Heavy Atoms162
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002235.67
LogP ≤ 56.76
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1031

Analyze 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide with MolForge

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Related Compounds

N-[1-[3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidine-1-carboxamide
CID 18332977
N-[(2R)-1-[(3R)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidine-1-carboxamide
CID 20712092
N-[1-[(3S)-3-[(dimethylamino)methyl]-3,4-dihydro-2H-quinolin-1-yl]-3-(1H-indol-3-yl)-1-oxopropan-2-yl]-4-[5-(trifluoromethyl)benzotriazol-1-yl]piperidine-1-carboxamide
CID 70235164
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(2-fluoro-4-pyridinyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide
CID 139553298
(2S,4R)-1-[(2R)-2-(2,2-difluoroethylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139553350
(2S,4R)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-[(4-methylphenyl)methyl]-1-[(2R)-4-[4-(trifluoromethyl)-3-pyridinyl]pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide
CID 139553477
N-[(1-methylbenzotriazol-5-yl)methyl]-1-[5-oxo-5-pyrrolidin-1-yl-2-(3,3,3-trifluoropropylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554022
N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-[3-[1-methyl-5-[[[1-(4-phenylpyrrolidine-2-carbonyl)-4-(trifluoromethyl)pyrrolidine-2-carbonyl]amino]methyl]-6,7-dihydrobenzotriazol-4-yl]phenyl]pyrrolidine-2-carbonyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554027
(2S,4R)-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[(2R)-5-oxo-5-pyrrolidin-1-yl-2-(2,2,2-trifluoroethylamino)pentanoyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554253
(2S,4R)-1-[(2R)-2-(3,3-difluorobutylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide
CID 139554254
N-[3-[(3,3-difluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[4-(dimethylamino)butyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;N-[3-[(dimethylamino)methyl]-5-(trifluoromethyl)phenyl]-3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-N-[3-[(4-fluoropiperidin-1-yl)methyl]-5-(trifluoromethyl)phenyl]-4-methylbenzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[4-(methylamino)butyl]-5-(trifluoromethyl)phenyl]benzamide;3-[4-(1,5-dimethylpyrazol-4-yl)triazol-1-yl]-4-methyl-N-[3-[2-(4-pyrrolidin-1-ylcyclohexyl)ethyl]-5-(trifluoromethyl)phenyl]benzamide
CID 158710382
2-[(3R,4R)-4-benzyl-1-(1-methylpyrazol-4-yl)-5-oxopyrrolidin-3-yl]-N-(2,2-difluoropropyl)-2-oxoacetamide;2-[(3R,4R)-4-benzyl-5-oxopyrrolidin-3-yl]-N-(cyclopropylmethyl)-2-oxoacetamide;N-cyclopentyl-2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]acetamide;N-(2,2-difluoropropyl)-2-[(3R,4R)-4-[(4-fluorophenyl)methyl]-5-oxopyrrolidin-3-yl]-2-oxoacetamide;N-(2,2-difluoropropyl)-2-oxo-2-[(3R,4R)-5-oxo-4-(pyridin-2-ylmethyl)pyrrolidin-3-yl]acetamide;2-oxo-2-[(3R,4S)-5-oxo-4-phenylpyrrolidin-3-yl]-N-propan-2-ylacetamide
CID 158859437

Frequently Asked Questions

What is the IUPAC name of 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The IUPAC name of 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide (CID 167584172) is 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide.
What is the SMILES notation for 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The canonical SMILES for 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is CN(C1CCCCC1)C1CC(C(=O)NCc2ccc3c(c2)nnn3C)N(C(=O)C(N)CCC(=O)N2CCCC2)C1.Cn1nnc2cc(CNC(=O)C3CC(C(F)(F)F)CN3C(=O)C(N)CCC(=O)N3CCC(F)C3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(CCC(=O)N3CCCC3)NCc3ccccc3)ccc21.Cn1nnc2cc(CNC(=O)C3CC(Cc4ccncc4)CN3C(=O)C(N)CCC(=O)N3CCCC3)ccc21.
What is the InChIKey of 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
The InChIKey is HOKGHUGYNDMYSB-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H42N8O3.C29H44N8O3.C28H36N8O3.C23H29F4N7O3/c1-41-31-11-9-27(20-30(31)39-40-41)23-38-34(45)32-21-28(19-25-13-15-36-16-14-25)24-43(32)35(46)29(37-22-26-7-3-2-4-8-26)10-12-33(44)42-17-5-6-18-42;1-34(21-8-4-3-5-9-21)22-17-26(28(39)31-18-20-10-12-25-24(16-20)32-33-35(25)2)37(19-22)29(40)23(30)11-13-27(38)36-14-6-7-15-36;1-34-24-6-4-20(15-23(24)32-33-34)17-31-27(38)25-16-21(14-19-8-10-30-11-9-19)18-36(25)28(39)22(29)5-7-26(37)35-12-2-3-13-35;1-32-18-4-2-13(8-17(18)30-31-32)10-29-21(36)19-9-14(23(25,26)27)11-34(19)22(37)16(28)3-5-20(35)33-7-6-15(24)12-33/h2-4,7-9,11,13-16,20,28-29,32,37H,5-6,10,12,17-19,21-24H2,1H3,(H,38,45);10,12,16,21-23,26H,3-9,11,13-15,17-19,30H2,1-2H3,(H,31,39);4,6,8-11,15,21-22,25H,2-3,5,7,12-14,16-18,29H2,1H3,(H,31,38);2,4,8,14-16,19H,3,5-7,9-12,28H2,1H3,(H,29,36).
What are the key properties of 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide?
1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide has a molecular weight of 2235.67 g/mol, XLogP of 6.76, 37 rotatable bonds, 8 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-amino-5-(3-fluoropyrrolidin-1-yl)-5-oxopentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(trifluoromethyl)pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[cyclohexyl(methyl)amino]-N-[(1-methylbenzotriazol-5-yl)methyl]pyrrolidine-2-carboxamide;1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide;1-[2-(benzylamino)-5-oxo-5-pyrrolidin-1-ylpentanoyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-4-(pyridin-4-ylmethyl)pyrrolidine-2-carboxamide is sourced from PubChem (CID 167584172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).