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

C61H82N12O7S2 — CID 157469522

IUPAC3-(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
SMILESC.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncs3)cn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C30H38N6O3S.C22H28N4O2S.C8H12N2O2.CH4/c1-18-11-26(39-6)25(30(38)33-18)14-32-29(37)24-13-23-12-21(27-15-31-17-40-27)16-36(23)28(19(24)2)20(3)35-9-7-22(8-10-35)34(4)5;1-14-19(22(27)28)10-18-9-16(20-11-23-13-29-20)12-26(18)21(14)15(2)25-7-5-17(6-8-25)24(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h11-13,15-17,20,22H,7-10,14H2,1-6H3,(H,32,37)(H,33,38);9-13,15,17H,5-8H2,1-4H3,(H,27,28);3H,4,9H2,1-2H3,(H,10,11);1H4
InChIKeyBUWCOZXACVLFLT-UHFFFAOYSA-N
MW1159.54 g/mol
LogP9.34
Rot. Bonds15

About 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

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 (PubChem CID 157469522) has the molecular formula C61H82N12O7S2 and a molecular weight of 1159.54 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-(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
PubChem CID157469522
Molecular FormulaC61H82N12O7S2
Molecular Weight1159.54 g/mol
Exact Mass1158.59
IUPAC Name3-(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
SMILESC.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncs3)cn2c1C(C)N1CCC(N(C)C)CC1
InChIInChI=1S/C30H38N6O3S.C22H28N4O2S.C8H12N2O2.CH4/c1-18-11-26(39-6)25(30(38)33-18)14-32-29(37)24-13-23-12-21(27-15-31-17-40-27)16-36(23)28(19(24)2)20(3)35-9-7-22(8-10-35)34(4)5;1-14-19(22(27)28)10-18-9-16(20-11-23-13-29-20)12-26(18)21(14)15(2)25-7-5-17(6-8-25)24(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h11-13,15-17,20,22H,7-10,14H2,1-6H3,(H,32,37)(H,33,38);9-13,15,17H,5-8H2,1-4H3,(H,27,28);3H,4,9H2,1-2H3,(H,10,11);1H4
InChIKeyBUWCOZXACVLFLT-UHFFFAOYSA-N
XLogP9.34
TPSA224.16 Ų
H-Bond Donors5
H-Bond Acceptors17
Rotatable Bonds15
Heavy Atoms82
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001159.54
LogP ≤ 59.34
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1017

Analyze 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 with MolForge

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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;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
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

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.COc1cc(C)[nH]c(=O)c1CN.COc1cc(C)[nH]c(=O)c1CNC(=O)c1cc2cc(-c3cncs3)cn2c(C(C)N2CCC(N(C)C)CC2)c1C.Cc1c(C(=O)O)cc2cc(-c3cncs3)cn2c1C(C)N1CCC(N(C)C)CC1.
What is the InChIKey of 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?
The InChIKey is BUWCOZXACVLFLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H38N6O3S.C22H28N4O2S.C8H12N2O2.CH4/c1-18-11-26(39-6)25(30(38)33-18)14-32-29(37)24-13-23-12-21(27-15-31-17-40-27)16-36(23)28(19(24)2)20(3)35-9-7-22(8-10-35)34(4)5;1-14-19(22(27)28)10-18-9-16(20-11-23-13-29-20)12-26(18)21(14)15(2)25-7-5-17(6-8-25)24(3)4;1-5-3-7(12-2)6(4-9)8(11)10-5;/h11-13,15-17,20,22H,7-10,14H2,1-6H3,(H,32,37)(H,33,38);9-13,15,17H,5-8H2,1-4H3,(H,27,28);3H,4,9H2,1-2H3,(H,10,11);1H4.
What are the key properties of 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?
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 has a molecular weight of 1159.54 g/mol, XLogP of 9.34, 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-(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 is sourced from PubChem (CID 157469522), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).