3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid

C58H74N12O7S2 — CID 159294049

IUPAC3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc3cc(-c4cncs4)cn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3cc(-c4cncs4)cn23)CC1.COc1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C29H36N6O3S.C21H26N4O2S.C8H12N2O2/c1-6-33-7-9-34(10-8-33)20(4)27-19(3)23(13-22-12-21(16-35(22)27)26-15-30-17-39-26)28(36)31-14-24-25(38-5)11-18(2)32-29(24)37;1-4-23-5-7-24(8-6-23)15(3)20-14(2)18(21(26)27)10-17-9-16(12-25(17)20)19-11-22-13-28-19;1-5-3-7(12-2)6(4-9)8(11)10-5/h11-13,15-17,20H,6-10,14H2,1-5H3,(H,31,36)(H,32,37);9-13,15H,4-8H2,1-3H3,(H,26,27);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyLAMJKWUBIFSYPN-UHFFFAOYSA-N
MW1115.44 g/mol
LogP7.92
Rot. Bonds15

About 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid

3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid (PubChem CID 159294049) has the molecular formula C58H74N12O7S2 and a molecular weight of 1115.44 g/mol. Its IUPAC name is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Name3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid
PubChem CID159294049
Molecular FormulaC58H74N12O7S2
Molecular Weight1115.44 g/mol
Exact Mass1114.52
IUPAC Name3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid
SMILESCCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc3cc(-c4cncs4)cn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3cc(-c4cncs4)cn23)CC1.COc1cc(C)[nH]c(=O)c1CN
InChIInChI=1S/C29H36N6O3S.C21H26N4O2S.C8H12N2O2/c1-6-33-7-9-34(10-8-33)20(4)27-19(3)23(13-22-12-21(16-35(22)27)26-15-30-17-39-26)28(36)31-14-24-25(38-5)11-18(2)32-29(24)37;1-4-23-5-7-24(8-6-23)15(3)20-14(2)18(21(26)27)10-17-9-16(12-25(17)20)19-11-22-13-28-19;1-5-3-7(12-2)6(4-9)8(11)10-5/h11-13,15-17,20H,6-10,14H2,1-5H3,(H,31,36)(H,32,37);9-13,15H,4-8H2,1-3H3,(H,26,27);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyLAMJKWUBIFSYPN-UHFFFAOYSA-N
XLogP7.92
TPSA224.16 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001115.44
LogP ≤ 57.92
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(4-carboxy-2-pyridinyl)-6-[4-[1-methyl-5-[5-(N-phenylanilino)thiophen-2-yl]pyrrol-2-yl]-2-pyridinyl]pyridine-4-carboxylic acid;ruthenium(2+);[(Z)-4,4,4-trifluoro-1-[4-(3-hexylthiophen-2-yl)-2-pyridinyl]-3-(methylamino)but-1-enyl]azanide;isothiocyanate
CID 145055049
2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 159701367
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 159894938
2-(3,6-dihydro-2H-pyran-4-yl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(oxan-4-yl)indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 162159389
Propan-2-yl 6-methyl-5-(1-piperazin-1-ylethyl)-2-(1,3-thiazol-5-yl)indolizine-7-carboxylate
CID 138733770
[(Z)-3-(1,3-benzothiazol-2-yl)-1-[5-(5-butylthiophen-2-yl)-2-pyridinyl]-3-iminoprop-1-enyl]azanide;2,6-bis(4-carboxy-2-pyridinyl)pyridine-4-carboxylic acid;ethane;ruthenium(2+);thiocyanate
CID 145155837
Methyl 4-[[4-methyl-1-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoate;4-[[4-methyl-1-[(2-pyridin-3-yl-1,3-thiazol-4-yl)methyl]pyrrole-2-carbonyl]amino]benzoic acid
CID 157092408
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;2-chloro-5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methylindolizine-7-carboxylic acid;hydrochloride
CID 157338670
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid;methane
CID 157469522
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-1-phenylindolizine-7-carboxylic acid
CID 157865465
tert-butyl 2-[7-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methylcarbamoyl]-6-methyl-5-(1-morpholin-4-ylethyl)indolizin-2-yl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate;3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(4,5,6,7-tetrahydro-[1,3]thiazolo[5,4-c]pyridin-2-yl)indolizine-7-carboxamide;6-methyl-2-[5-[(2-methylpropan-2-yl)oxycarbonyl]-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
CID 158430471
3-[(chloroamino)methyl]-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxamide;6-methyl-5-(1-morpholin-4-ylethyl)-2-(1,3-thiazol-2-yl)indolizine-7-carboxylic acid
CID 159164321

Frequently Asked Questions

What is the IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?
The IUPAC name of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid (CID 159294049) is 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid.
What is the SMILES notation for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?
The canonical SMILES for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid is CCN1CCN(C(C)c2c(C)c(C(=O)NCc3c(OC)cc(C)[nH]c3=O)cc3cc(-c4cncs4)cn23)CC1.CCN1CCN(C(C)c2c(C)c(C(=O)O)cc3cc(-c4cncs4)cn23)CC1.COc1cc(C)[nH]c(=O)c1CN.
What is the InChIKey of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?
The InChIKey is LAMJKWUBIFSYPN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36N6O3S.C21H26N4O2S.C8H12N2O2/c1-6-33-7-9-34(10-8-33)20(4)27-19(3)23(13-22-12-21(16-35(22)27)26-15-30-17-39-26)28(36)31-14-24-25(38-5)11-18(2)32-29(24)37;1-4-23-5-7-24(8-6-23)15(3)20-14(2)18(21(26)27)10-17-9-16(12-25(17)20)19-11-22-13-28-19;1-5-3-7(12-2)6(4-9)8(11)10-5/h11-13,15-17,20H,6-10,14H2,1-5H3,(H,31,36)(H,32,37);9-13,15H,4-8H2,1-3H3,(H,26,27);3H,4,9H2,1-2H3,(H,10,11).
What are the key properties of 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid?
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid has a molecular weight of 1115.44 g/mol, XLogP of 7.92, 15 rotatable bonds, 5 hydrogen bond donors, and 17 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxamide;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-2-(1,3-thiazol-5-yl)indolizine-7-carboxylic acid is sourced from PubChem (CID 159294049), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).