3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

C57H74N12O7 — CID 158777400

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESC.Cc1c(C(=O)O)cc2cc(-c3nccn3C)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C28H34N6O3.C20H24N4O3.C8H12N2O.CH4/c1-17-12-18(2)31-28(36)24(17)15-30-27(35)23-14-22-13-21(26-29-6-7-32(26)5)16-34(22)25(19(23)3)20(4)33-8-10-37-11-9-33;1-13-17(20(25)26)11-16-10-15(19-21-4-5-22(19)3)12-24(16)18(13)14(2)23-6-8-27-9-7-23;1-5-3-6(2)10-8(11)7(5)4-9;/h6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,30,35)(H,31,36);4-5,10-12,14H,6-9H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11);1H4
InChIKeyIQQGOECZPFDDQP-UHFFFAOYSA-N
MW1039.30 g/mol
LogP7.10
Rot. Bonds11

About 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid

3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 158777400) has the molecular formula C57H74N12O7 and a molecular weight of 1039.30 g/mol. Its IUPAC name is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
PubChem CID158777400
Molecular FormulaC57H74N12O7
Molecular Weight1039.30 g/mol
Exact Mass1038.58
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESC.Cc1c(C(=O)O)cc2cc(-c3nccn3C)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C28H34N6O3.C20H24N4O3.C8H12N2O.CH4/c1-17-12-18(2)31-28(36)24(17)15-30-27(35)23-14-22-13-21(26-29-6-7-32(26)5)16-34(22)25(19(23)3)20(4)33-8-10-37-11-9-33;1-13-17(20(25)26)11-16-10-15(19-21-4-5-22(19)3)12-24(16)18(13)14(2)23-6-8-27-9-7-23;1-5-3-6(2)10-8(11)7(5)4-9;/h6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,30,35)(H,31,36);4-5,10-12,14H,6-9H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11);1H4
InChIKeyIQQGOECZPFDDQP-UHFFFAOYSA-N
XLogP7.10
TPSA227.54 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001039.30
LogP ≤ 57.10
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1015

Analyze 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid with MolForge

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Related Compounds

2-(2-hydroxypropan-2-yl)-N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-a]pyridin-6-yl)-3-pyridinyl]pyridine-4-carboxamide
CID 90463665
4-(1-Methylpyrrolo[2,3-b]pyridin-4-yl)-7-[[5-(oxolan-3-yl)-6-(pyrrolidin-1-ylmethyl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156163207
7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(1-methyl-l]-4-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156163824
7-((6-(((R)-3-hydroxypyrroli-din-1-yl)methyl)-5-((S)-THF-3-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164018
7-((6-(((S)-3-hydroxypyrroli-din-1-yl)methyl)-5-((S)-THF-3-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164020
7-((6-(((R)-3-hydroxypyrroli-din-1-yl)methyl)-5-((R)-THF-3-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164027
7-((5-(4-hydroxytetra-hydro-2H-pyran-4-yl)pyridin-2-yl)amino)-4-(imidazo[1,2-a]pyridin-3-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164032
7-((6-(((S)-3-hydroxypyrroli-din-1-yl)methyl)-5-((R)-THF-3-yl)pyridin-2-yl)amino)-4-(1-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)-2,3-dihydro-1H-pyrrolo[3,4-c]pyridin-1-one
CID 156164062
(17S,18S)-12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-[2-[2-[2-[3-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]-3-oxopropoxy]ethoxy]ethoxy]ethylamino]-3-oxopropyl]-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 177651505
(17S,18S)-12-ethenyl-7-ethyl-20-(2-methoxy-2-oxoethyl)-3,8,13,17-tetramethyl-18-[3-[[4-[4-[[4-[[4-methyl-3-[(4-pyridin-3-ylpyrimidin-2-yl)amino]phenyl]carbamoyl]phenyl]methyl]piperazin-1-yl]-4-oxobutyl]amino]-3-oxopropyl]-17,18,22,23-tetrahydroporphyrin-2-carboxylic acid
CID 177652069
2-[6-[[(3R,4R)-3-aminooxan-4-yl]amino]-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-4-yl]indolizine-7-carboxylic acid
CID 71143977
2-[6-[(3-Aminooxan-4-yl)amino]-7-fluoro-3-oxo-1,2-dihydropyrrolo[3,4-c]pyridin-4-yl]indolizine-7-carboxylic acid
CID 78033118

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 158777400) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is C.Cc1c(C(=O)O)cc2cc(-c3nccn3C)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4nccn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.
What is the InChIKey of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The InChIKey is IQQGOECZPFDDQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3.C20H24N4O3.C8H12N2O.CH4/c1-17-12-18(2)31-28(36)24(17)15-30-27(35)23-14-22-13-21(26-29-6-7-32(26)5)16-34(22)25(19(23)3)20(4)33-8-10-37-11-9-33;1-13-17(20(25)26)11-16-10-15(19-21-4-5-22(19)3)12-24(16)18(13)14(2)23-6-8-27-9-7-23;1-5-3-6(2)10-8(11)7(5)4-9;/h6-7,12-14,16,20H,8-11,15H2,1-5H3,(H,30,35)(H,31,36);4-5,10-12,14H,6-9H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11);1H4.
What are the key properties of 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 1039.30 g/mol, XLogP of 7.10, 11 rotatable bonds, 5 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;methane;6-methyl-2-(1-methylimidazol-2-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 158777400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).