1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen

C154H191N31O19 — CID 167541372

IUPAC1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(c4ccc[nH]c4=O)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(c4cnn(C)c4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3NCCc4cc(OC)ccc43)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(n4ccccc4=O)CN3)C2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C32H35N5O4.C31H35N7O4.C31H34N6O4.C30H35N7O3.C30H38N6O4.7H2/c1-40-25-5-3-20(4-6-25)13-21-14-29(31(38)35-18-24-15-23-17-33-11-10-28(23)36-24)37(19-21)32(39)30-27-8-7-26(41-2)16-22(27)9-12-34-30;1-36-27-11-8-21(14-25(27)34-35-36)17-33-30(40)28-15-22(13-20-6-9-24(42-2)10-7-20)19-38(28)31(41)26-16-23(18-32-26)37-12-4-3-5-29(37)39;1-41-24-6-4-19(5-7-24)11-20-12-28(30(39)35-17-23-13-22-15-32-10-8-26(22)36-23)37(18-20)31(40)27-14-21(16-34-27)25-3-2-9-33-29(25)38;1-36-18-23(15-34-36)21-12-27(32-14-21)30(39)37-17-20(9-19-3-5-25(40-2)6-4-19)10-28(37)29(38)33-16-24-11-22-13-31-8-7-26(22)35-24;1-40-24-6-4-20(5-7-24)14-21-15-27(29(38)33-18-23-16-22-17-32-11-10-26(22)34-23)36(19-21)30(39)25(31)8-9-28(37)35-12-2-3-13-35;;;;;;;/h3-8,10-11,15-17,21,29-30,34,36H,9,12-14,18-19H2,1-2H3,(H,35,38);3-12,14,22-23,26,28,32H,13,15-19H2,1-2H3,(H,33,40);2-10,13,15,20-21,27-28,34,36H,11-12,14,16-18H2,1H3,(H,33,38)(H,35,39);3-8,11,13,15,18,20-21,27-28,32,35H,9-10,12,14,16-17H2,1-2H3,(H,33,38);4-7,10-11,16-17,21,25,27,34H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,38);7*1H
InChIKeyBFUORYBMBINTBK-UHFFFAOYSA-N
MW2780.42 g/mol
LogP14.47
Rot. Bonds42

About 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen

1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen (PubChem CID 167541372) has the molecular formula C154H191N31O19 and a molecular weight of 2780.42 g/mol. Its IUPAC name is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen.

Molecular Properties

Compound Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
PubChem CID167541372
Molecular FormulaC154H191N31O19
Molecular Weight2780.42 g/mol
Exact Mass2778.49
IUPAC Name1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen
SMILESCOc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(c4ccc[nH]c4=O)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(c4cnn(C)c4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3NCCc4cc(OC)ccc43)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(n4ccccc4=O)CN3)C2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H]
InChIInChI=1S/C32H35N5O4.C31H35N7O4.C31H34N6O4.C30H35N7O3.C30H38N6O4.7H2/c1-40-25-5-3-20(4-6-25)13-21-14-29(31(38)35-18-24-15-23-17-33-11-10-28(23)36-24)37(19-21)32(39)30-27-8-7-26(41-2)16-22(27)9-12-34-30;1-36-27-11-8-21(14-25(27)34-35-36)17-33-30(40)28-15-22(13-20-6-9-24(42-2)10-7-20)19-38(28)31(41)26-16-23(18-32-26)37-12-4-3-5-29(37)39;1-41-24-6-4-19(5-7-24)11-20-12-28(30(39)35-17-23-13-22-15-32-10-8-26(22)36-23)37(18-20)31(40)27-14-21(16-34-27)25-3-2-9-33-29(25)38;1-36-18-23(15-34-36)21-12-27(32-14-21)30(39)37-17-20(9-19-3-5-25(40-2)6-4-19)10-28(37)29(38)33-16-24-11-22-13-31-8-7-26(22)35-24;1-40-24-6-4-20(5-7-24)14-21-15-27(29(38)33-18-23-16-22-17-32-11-10-26(22)34-23)36(19-21)30(39)25(31)8-9-28(37)35-12-2-3-13-35;;;;;;;/h3-8,10-11,15-17,21,29-30,34,36H,9,12-14,18-19H2,1-2H3,(H,35,38);3-12,14,22-23,26,28,32H,13,15-19H2,1-2H3,(H,33,40);2-10,13,15,20-21,27-28,34,36H,11-12,14,16-18H2,1H3,(H,33,38)(H,35,39);3-8,11,13,15,18,20-21,27-28,32,35H,9-10,12,14,16-17H2,1-2H3,(H,33,38);4-7,10-11,16-17,21,25,27,34H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,38);7*1H
InChIKeyBFUORYBMBINTBK-UHFFFAOYSA-N
XLogP14.47
TPSA614.99 Ų
H-Bond Donors15
H-Bond Acceptors34
Rotatable Bonds42
Heavy Atoms204
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002780.42
LogP ≤ 514.47
H-Bond Donors ≤ 515
H-Bond Acceptors ≤ 1034

Analyze 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The IUPAC name of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen (CID 167541372) is 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen.
What is the SMILES notation for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The canonical SMILES for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen is COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C(N)CCC(=O)N3CCCC3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(c4ccc[nH]c4=O)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3CC(c4cnn(C)c4)CN3)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3cc4cnccc4[nH]3)N(C(=O)C3NCCc4cc(OC)ccc43)C2)cc1.COc1ccc(CC2CC(C(=O)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(n4ccccc4=O)CN3)C2)cc1.[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].[H][H].
What is the InChIKey of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
The InChIKey is BFUORYBMBINTBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H35N5O4.C31H35N7O4.C31H34N6O4.C30H35N7O3.C30H38N6O4.7H2/c1-40-25-5-3-20(4-6-25)13-21-14-29(31(38)35-18-24-15-23-17-33-11-10-28(23)36-24)37(19-21)32(39)30-27-8-7-26(41-2)16-22(27)9-12-34-30;1-36-27-11-8-21(14-25(27)34-35-36)17-33-30(40)28-15-22(13-20-6-9-24(42-2)10-7-20)19-38(28)31(41)26-16-23(18-32-26)37-12-4-3-5-29(37)39;1-41-24-6-4-19(5-7-24)11-20-12-28(30(39)35-17-23-13-22-15-32-10-8-26(22)36-23)37(18-20)31(40)27-14-21(16-34-27)25-3-2-9-33-29(25)38;1-36-18-23(15-34-36)21-12-27(32-14-21)30(39)37-17-20(9-19-3-5-25(40-2)6-4-19)10-28(37)29(38)33-16-24-11-22-13-31-8-7-26(22)35-24;1-40-24-6-4-20(5-7-24)14-21-15-27(29(38)33-18-23-16-22-17-32-11-10-26(22)34-23)36(19-21)30(39)25(31)8-9-28(37)35-12-2-3-13-35;;;;;;;/h3-8,10-11,15-17,21,29-30,34,36H,9,12-14,18-19H2,1-2H3,(H,35,38);3-12,14,22-23,26,28,32H,13,15-19H2,1-2H3,(H,33,40);2-10,13,15,20-21,27-28,34,36H,11-12,14,16-18H2,1H3,(H,33,38)(H,35,39);3-8,11,13,15,18,20-21,27-28,32,35H,9-10,12,14,16-17H2,1-2H3,(H,33,38);4-7,10-11,16-17,21,25,27,34H,2-3,8-9,12-15,18-19,31H2,1H3,(H,33,38);7*1H.
What are the key properties of 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen?
1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen has a molecular weight of 2780.42 g/mol, XLogP of 14.47, 42 rotatable bonds, 15 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-amino-5-oxo-5-pyrrolidin-1-ylpentanoyl)-4-[(4-methoxyphenyl)methyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-(6-methoxy-1,2,3,4-tetrahydroisoquinoline-1-carbonyl)-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-N-[(1-methylbenzotriazol-5-yl)methyl]-1-[4-(2-oxo-1-pyridinyl)pyrrolidine-2-carbonyl]pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(1-methylpyrazol-4-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;4-[(4-methoxyphenyl)methyl]-1-[4-(2-oxo-1H-pyridin-3-yl)pyrrolidine-2-carbonyl]-N-(1H-pyrrolo[3,2-c]pyridin-2-ylmethyl)pyrrolidine-2-carboxamide;molecular hydrogen is sourced from PubChem (CID 167541372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).