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

C56H70N12O7 — CID 157227516

IUPAC3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C28H34N6O3.C20H24N4O3.C8H12N2O/c1-17-10-18(2)31-28(36)24(17)13-30-27(35)23-12-22-11-21(25-14-29-16-32(25)5)15-34(22)26(19(23)3)20(4)33-6-8-37-9-7-33;1-13-17(20(25)26)9-16-8-15(18-10-21-12-22(18)3)11-24(16)19(13)14(2)23-4-6-27-7-5-23;1-5-3-6(2)10-8(11)7(5)4-9/h10-12,14-16,20H,6-9,13H2,1-5H3,(H,30,35)(H,31,36);8-12,14H,4-7H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyATSANDOTRSTWJJ-UHFFFAOYSA-N
MW1023.25 g/mol
LogP6.47
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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (PubChem CID 157227516) has the molecular formula C56H70N12O7 and a molecular weight of 1023.25 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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
PubChem CID157227516
Molecular FormulaC56H70N12O7
Molecular Weight1023.25 g/mol
Exact Mass1022.55
IUPAC Name3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid
SMILESCc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncn4C)cn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1
InChIInChI=1S/C28H34N6O3.C20H24N4O3.C8H12N2O/c1-17-10-18(2)31-28(36)24(17)13-30-27(35)23-12-22-11-21(25-14-29-16-32(25)5)15-34(22)26(19(23)3)20(4)33-6-8-37-9-7-33;1-13-17(20(25)26)9-16-8-15(18-10-21-12-22(18)3)11-24(16)19(13)14(2)23-4-6-27-7-5-23;1-5-3-6(2)10-8(11)7(5)4-9/h10-12,14-16,20H,6-9,13H2,1-5H3,(H,30,35)(H,31,36);8-12,14H,4-7H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11)
InChIKeyATSANDOTRSTWJJ-UHFFFAOYSA-N
XLogP6.47
TPSA227.54 Ų
H-Bond Donors5
H-Bond Acceptors15
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001023.25
LogP ≤ 56.47
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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid with MolForge

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Related Compounds

(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
4-[7-[5-[2-(Dimethylamino)propan-2-yl]-1-[6-[[7-(7-fluoroimidazo[1,2-a]pyridin-3-yl)-3-oxo-1,2-dihydroisoindol-4-yl]amino]-3-pyridinyl]piperidin-2-yl]imidazo[1,2-a]pyridin-3-yl]-7-[[5-(4-hydroxyoxan-4-yl)-2-pyridinyl]amino]-2,3-dihydropyrrolo[3,4-c]pyridin-1-one
CID 156651949
3-(aminomethyl)-6-methyl-4-(trifluoromethyl)-1H-pyridin-2-one;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylic acid;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-N-[[6-methyl-2-oxo-4-(trifluoromethyl)-1H-pyridin-3-yl]methyl]indolizine-7-carboxamide;hydrochloride
CID 157245152
sodium;1-(6-amino-3-pyridinyl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;propan-2-yl 1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate;hydroxide
CID 157500178
1-(6-amino-3-pyridinyl)-N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxamide;1-(6-amino-3-pyridinyl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one
CID 157511555
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 157884508
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methylimidazo[1,5-a]pyridine-7-carboxamide;1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylic acid;ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl(piperidin-4-yl)amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate;ethyl 1-[2-(dimethylamino)-4-pyridinyl]-5-[ethyl-[1-(2,2,2-trifluoroethyl)piperidin-4-yl]amino]-6-methylimidazo[1,5-a]pyridine-7-carboxylate;ethyl trifluoromethanesulfonate;hydrochloride
CID 159251825
5-[1-[4-(dimethylamino)piperidin-1-yl]ethyl]-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)indolizine-7-carboxamide;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 159388479
2-(2-Methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]pyridine-4-carboxylic acid;[2-(2-methylimidazo[1,2-a]pyridin-3-yl)-6-[4-(trifluoromethyl)anilino]-4-pyridinyl]methanol
CID 159847816
3-[(chloroamino)methyl]-4-methoxy-6-methyl-1H-pyridin-2-one;5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]indolizine-7-carboxylic acid;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-[2-(methylamino)-4-pyridinyl]-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide
CID 160058125
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;methane;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(1-methylimidazol-2-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 161083235

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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid (CID 157227516) is 3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is Cc1c(C(=O)O)cc2cc(-c3cncn3C)cn2c1C(C)N1CCOCC1.Cc1cc(C)c(CN)c(=O)[nH]1.Cc1cc(C)c(CNC(=O)c2cc3cc(-c4cncn4C)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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid?
The InChIKey is ATSANDOTRSTWJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H34N6O3.C20H24N4O3.C8H12N2O/c1-17-10-18(2)31-28(36)24(17)13-30-27(35)23-12-22-11-21(25-14-29-16-32(25)5)15-34(22)26(19(23)3)20(4)33-6-8-37-9-7-33;1-13-17(20(25)26)9-16-8-15(18-10-21-12-22(18)3)11-24(16)19(13)14(2)23-4-6-27-7-5-23;1-5-3-6(2)10-8(11)7(5)4-9/h10-12,14-16,20H,6-9,13H2,1-5H3,(H,30,35)(H,31,36);8-12,14H,4-7H2,1-3H3,(H,25,26);3H,4,9H2,1-2H3,(H,10,11).
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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid has a molecular weight of 1023.25 g/mol, XLogP of 6.47, 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-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxamide;6-methyl-2-(3-methylimidazol-4-yl)-5-(1-morpholin-4-ylethyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 157227516), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).