1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

C103H111N21O12 — CID 161002324

IUPAC1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2cccc(C#N)c2)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2cccc(C(N)=O)c2)c2ncccc12.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)CN3CCOCC3)c3ncccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)Cn3cnc4ccccc43)c3ncccc23)c(=O)[nH]1
InChIInChI=1S/C27H28N6O2.C26H27N5O4.C26H25N5O3.C24H31N5O3/c1-16-12-17(2)31-26(34)21(16)13-29-27(35)24-19(4)33(25-20(24)8-7-11-28-25)18(3)14-32-15-30-22-9-5-6-10-23(22)32;1-14-11-21(35-4)20(25(33)30-14)13-29-26(34)22-16(3)31(24-19(22)9-6-10-28-24)15(2)17-7-5-8-18(12-17)23(27)32;1-15-11-22(34-4)21(25(32)30-15)14-29-26(33)23-17(3)31(24-20(23)9-6-10-28-24)16(2)19-8-5-7-18(12-19)13-27;1-15-12-16(2)27-23(30)20(15)13-26-24(31)21-18(4)29(22-19(21)6-5-7-25-22)17(3)14-28-8-10-32-11-9-28/h5-12,15,18H,13-14H2,1-4H3,(H,29,35)(H,31,34);5-12,15H,13H2,1-4H3,(H2,27,32)(H,29,34)(H,30,33);5-12,16H,14H2,1-4H3,(H,29,33)(H,30,32);5-7,12,17H,8-11,13-14H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyTWAVQOYSGQXZSI-UHFFFAOYSA-N
MW1835.16 g/mol
LogP13.41
Rot. Bonds25

About 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide

1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 161002324) has the molecular formula C103H111N21O12 and a molecular weight of 1835.16 g/mol. Its IUPAC name is 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID161002324
Molecular FormulaC103H111N21O12
Molecular Weight1835.16 g/mol
Exact Mass1833.87
IUPAC Name1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2cccc(C#N)c2)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2cccc(C(N)=O)c2)c2ncccc12.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)CN3CCOCC3)c3ncccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)Cn3cnc4ccccc43)c3ncccc23)c(=O)[nH]1
InChIInChI=1S/C27H28N6O2.C26H27N5O4.C26H25N5O3.C24H31N5O3/c1-16-12-17(2)31-26(34)21(16)13-29-27(35)24-19(4)33(25-20(24)8-7-11-28-25)18(3)14-32-15-30-22-9-5-6-10-23(22)32;1-14-11-21(35-4)20(25(33)30-14)13-29-26(34)22-16(3)31(24-19(22)9-6-10-28-24)15(2)17-7-5-8-18(12-17)23(27)32;1-15-11-22(34-4)21(25(32)30-15)14-29-26(33)23-17(3)31(24-20(23)9-6-10-28-24)16(2)19-8-5-7-18(12-19)13-27;1-15-12-16(2)27-23(30)20(15)13-26-24(31)21-18(4)29(22-19(21)6-5-7-25-22)17(3)14-28-8-10-32-11-9-28/h5-12,15,18H,13-14H2,1-4H3,(H,29,35)(H,31,34);5-12,15H,13H2,1-4H3,(H2,27,32)(H,29,34)(H,30,33);5-12,16H,14H2,1-4H3,(H,29,33)(H,30,32);5-7,12,17H,8-11,13-14H2,1-4H3,(H,26,31)(H,27,30)
InChIKeyTWAVQOYSGQXZSI-UHFFFAOYSA-N
XLogP13.41
TPSA434.75 Ų
H-Bond Donors9
H-Bond Acceptors24
Rotatable Bonds25
Heavy Atoms136
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001835.16
LogP ≤ 513.41
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1024

Analyze 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide (CID 161002324) is 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2cccc(C#N)c2)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)c2cccc(C(N)=O)c2)c2ncccc12.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)CN3CCOCC3)c3ncccc23)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2c(C)n(C(C)Cn3cnc4ccccc43)c3ncccc23)c(=O)[nH]1.
What is the InChIKey of 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is TWAVQOYSGQXZSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H28N6O2.C26H27N5O4.C26H25N5O3.C24H31N5O3/c1-16-12-17(2)31-26(34)21(16)13-29-27(35)24-19(4)33(25-20(24)8-7-11-28-25)18(3)14-32-15-30-22-9-5-6-10-23(22)32;1-14-11-21(35-4)20(25(33)30-14)13-29-26(34)22-16(3)31(24-19(22)9-6-10-28-24)15(2)17-7-5-8-18(12-17)23(27)32;1-15-11-22(34-4)21(25(32)30-15)14-29-26(33)23-17(3)31(24-20(23)9-6-10-28-24)16(2)19-8-5-7-18(12-19)13-27;1-15-12-16(2)27-23(30)20(15)13-26-24(31)21-18(4)29(22-19(21)6-5-7-25-22)17(3)14-28-8-10-32-11-9-28/h5-12,15,18H,13-14H2,1-4H3,(H,29,35)(H,31,34);5-12,15H,13H2,1-4H3,(H2,27,32)(H,29,34)(H,30,33);5-12,16H,14H2,1-4H3,(H,29,33)(H,30,32);5-7,12,17H,8-11,13-14H2,1-4H3,(H,26,31)(H,27,30).
What are the key properties of 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide?
1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1835.16 g/mol, XLogP of 13.41, 25 rotatable bonds, 9 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(benzimidazol-1-yl)propan-2-yl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-carbamoylphenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-[1-(3-cyanophenyl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methyl-1-(1-morpholin-4-ylpropan-2-yl)pyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 161002324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).