1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide

C91H112N20O15 — CID 158258215

IUPAC1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCC(C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccc(N3CCNCC3)nc21.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C(OC)C2CC2)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)CC#N)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)CC(N)=O)c2ncccc12
InChIInChI=1S/C25H34N6O4.C24H30N4O4.C21H25N5O4.C21H23N5O3/c1-15-12-20(35-5)19(24(32)28-15)13-27-25(33)22-17(3)31(16(2)14-34-4)23-18(22)6-7-21(29-23)30-10-8-26-9-11-30;1-13-11-19(31-4)18(23(29)27-13)12-26-24(30)20-14(2)28(22-17(20)7-6-10-25-22)15(3)21(32-5)16-8-9-16;1-11-8-16(30-4)15(20(28)25-11)10-24-21(29)18-13(3)26(12(2)9-17(22)27)19-14(18)6-5-7-23-19;1-12-10-17(29-4)16(20(27)25-12)11-24-21(28)18-14(3)26(13(2)7-8-22)19-15(18)6-5-9-23-19/h6-7,12,16,26H,8-11,13-14H2,1-5H3,(H,27,33)(H,28,32);6-7,10-11,15-16,21H,8-9,12H2,1-5H3,(H,26,30)(H,27,29);5-8,12H,9-10H2,1-4H3,(H2,22,27)(H,24,29)(H,25,28);5-6,9-10,13H,7,11H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyGHNUQVPVKNCYTF-UHFFFAOYSA-N
MW1726.02 g/mol
LogP9.63
Rot. Bonds29

About 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide

1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide (PubChem CID 158258215) has the molecular formula C91H112N20O15 and a molecular weight of 1726.02 g/mol. Its IUPAC name is 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide.

Molecular Properties

Compound Name1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide
PubChem CID158258215
Molecular FormulaC91H112N20O15
Molecular Weight1726.02 g/mol
Exact Mass1724.86
IUPAC Name1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide
SMILESCOCC(C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccc(N3CCNCC3)nc21.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C(OC)C2CC2)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)CC#N)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)CC(N)=O)c2ncccc12
InChIInChI=1S/C25H34N6O4.C24H30N4O4.C21H25N5O4.C21H23N5O3/c1-15-12-20(35-5)19(24(32)28-15)13-27-25(33)22-17(3)31(16(2)14-34-4)23-18(22)6-7-21(29-23)30-10-8-26-9-11-30;1-13-11-19(31-4)18(23(29)27-13)12-26-24(30)20-14(2)28(22-17(20)7-6-10-25-22)15(3)21(32-5)16-8-9-16;1-11-8-16(30-4)15(20(28)25-11)10-24-21(29)18-13(3)26(12(2)9-17(22)27)19-14(18)6-5-7-23-19;1-12-10-17(29-4)16(20(27)25-12)11-24-21(28)18-14(3)26(13(2)7-8-22)19-15(18)6-5-9-23-19/h6-7,12,16,26H,8-11,13-14H2,1-5H3,(H,27,33)(H,28,32);6-7,10-11,15-16,21H,8-9,12H2,1-5H3,(H,26,30)(H,27,29);5-8,12H,9-10H2,1-4H3,(H2,22,27)(H,24,29)(H,25,28);5-6,9-10,13H,7,11H2,1-4H3,(H,24,28)(H,25,27)
InChIKeyGHNUQVPVKNCYTF-UHFFFAOYSA-N
XLogP9.63
TPSA456.65 Ų
H-Bond Donors10
H-Bond Acceptors26
Rotatable Bonds29
Heavy Atoms126
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001726.02
LogP ≤ 59.63
H-Bond Donors ≤ 510
H-Bond Acceptors ≤ 1026

Analyze 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The IUPAC name of 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide (CID 158258215) is 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide.
What is the SMILES notation for 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The canonical SMILES for 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide is COCC(C)n1c(C)c(C(=O)NCc2c(OC)cc(C)[nH]c2=O)c2ccc(N3CCNCC3)nc21.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)C(OC)C2CC2)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)CC#N)c2ncccc12.COc1cc(C)[nH]c(=O)c1CNC(=O)c1c(C)n(C(C)CC(N)=O)c2ncccc12.
What is the InChIKey of 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
The InChIKey is GHNUQVPVKNCYTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H34N6O4.C24H30N4O4.C21H25N5O4.C21H23N5O3/c1-15-12-20(35-5)19(24(32)28-15)13-27-25(33)22-17(3)31(16(2)14-34-4)23-18(22)6-7-21(29-23)30-10-8-26-9-11-30;1-13-11-19(31-4)18(23(29)27-13)12-26-24(30)20-14(2)28(22-17(20)7-6-10-25-22)15(3)21(32-5)16-8-9-16;1-11-8-16(30-4)15(20(28)25-11)10-24-21(29)18-13(3)26(12(2)9-17(22)27)19-14(18)6-5-7-23-19;1-12-10-17(29-4)16(20(27)25-12)11-24-21(28)18-14(3)26(13(2)7-8-22)19-15(18)6-5-9-23-19/h6-7,12,16,26H,8-11,13-14H2,1-5H3,(H,27,33)(H,28,32);6-7,10-11,15-16,21H,8-9,12H2,1-5H3,(H,26,30)(H,27,29);5-8,12H,9-10H2,1-4H3,(H2,22,27)(H,24,29)(H,25,28);5-6,9-10,13H,7,11H2,1-4H3,(H,24,28)(H,25,27).
What are the key properties of 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide?
1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide has a molecular weight of 1726.02 g/mol, XLogP of 9.63, 29 rotatable bonds, 10 hydrogen bond donors, and 26 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-4-oxobutan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyanopropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;1-(1-cyclopropyl-1-methoxypropan-2-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-2-methylpyrrolo[2,3-b]pyridine-3-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-1-(1-methoxypropan-2-yl)-2-methyl-6-piperazin-1-ylpyrrolo[2,3-b]pyridine-3-carboxamide is sourced from PubChem (CID 158258215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).