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

C92H104N20O11 — CID 167640850

IUPAC4-[(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
SMILESCOc1ccc(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)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(n4ccccc4=O)CN3)C2)cc1
InChIInChI=1S/C31H35N7O4.C31H34N6O4.C30H35N7O3/c1-36-27-11-8-21(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/h3-12,14,22-23,26,28,32H,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)
InChIKeyPDHIZRYFYVZIOR-UHFFFAOYSA-N
MW1665.97 g/mol
LogP6.83
Rot. Bonds24

About 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

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 (PubChem CID 167640850) has the molecular formula C92H104N20O11 and a molecular weight of 1665.97 g/mol. Its IUPAC name is 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 Properties

Compound Name4-[(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
PubChem CID167640850
Molecular FormulaC92H104N20O11
Molecular Weight1665.97 g/mol
Exact Mass1664.82
IUPAC Name4-[(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
SMILESCOc1ccc(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)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(n4ccccc4=O)CN3)C2)cc1
InChIInChI=1S/C31H35N7O4.C31H34N6O4.C30H35N7O3/c1-36-27-11-8-21(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/h3-12,14,22-23,26,28,32H,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)
InChIKeyPDHIZRYFYVZIOR-UHFFFAOYSA-N
XLogP6.83
TPSA372.76 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds24
Heavy Atoms123
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001665.97
LogP ≤ 56.83
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

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Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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 (CID 167640850) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is 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)NCc3ccc4c(c3)nnn4C)N(C(=O)C3CC(n4ccccc4=O)CN3)C2)cc1.
What is the InChIKey of 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?
The InChIKey is PDHIZRYFYVZIOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H35N7O4.C31H34N6O4.C30H35N7O3/c1-36-27-11-8-21(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/h3-12,14,22-23,26,28,32H,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).
What are the key properties of 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?
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 has a molecular weight of 1665.97 g/mol, XLogP of 6.83, 24 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 167640850), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).