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

C62H79FN8O8 — CID 157231445

IUPACdeuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid
SMILESC.Cc1c(C(=O)O)cc2c(-c3cccc(N4CCOCC4)c3)ccn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(N5CCOCC5)c4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[2H]CF
InChIInChI=1S/C34H41N5O4.C26H31N3O4.CH3F.CH4/c1-22-18-23(2)36-34(41)30(22)21-35-33(40)29-20-31-28(26-6-5-7-27(19-26)38-12-16-43-17-13-38)8-9-39(31)32(24(29)3)25(4)37-10-14-42-15-11-37;1-18-23(26(30)31)17-24-22(20-4-3-5-21(16-20)28-10-14-33-15-11-28)6-7-29(24)25(18)19(2)27-8-12-32-13-9-27;1-2;/h5-9,18-20,25H,10-17,21H2,1-4H3,(H,35,40)(H,36,41);3-7,16-17,19H,8-15H2,1-2H3,(H,30,31);1H3;1H4/i;;1D;
InChIKeyAUDNOKUNAHROPA-XZVVQQHRSA-N
MW1084.37 g/mol
LogP9.44
Rot. Bonds12

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

deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid (PubChem CID 157231445) has the molecular formula C62H79FN8O8 and a molecular weight of 1084.37 g/mol. Its IUPAC name is deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid.

Molecular Properties

Compound Namedeuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid
PubChem CID157231445
Molecular FormulaC62H79FN8O8
Molecular Weight1084.37 g/mol
Exact Mass1083.61
IUPAC Namedeuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid
SMILESC.Cc1c(C(=O)O)cc2c(-c3cccc(N4CCOCC4)c3)ccn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(N5CCOCC5)c4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[2H]CF
InChIInChI=1S/C34H41N5O4.C26H31N3O4.CH3F.CH4/c1-22-18-23(2)36-34(41)30(22)21-35-33(40)29-20-31-28(26-6-5-7-27(19-26)38-12-16-43-17-13-38)8-9-39(31)32(24(29)3)25(4)37-10-14-42-15-11-37;1-18-23(26(30)31)17-24-22(20-4-3-5-21(16-20)28-10-14-33-15-11-28)6-7-29(24)25(18)19(2)27-8-12-32-13-9-27;1-2;/h5-9,18-20,25H,10-17,21H2,1-4H3,(H,35,40)(H,36,41);3-7,16-17,19H,8-15H2,1-2H3,(H,30,31);1H3;1H4/i;;1D;
InChIKeyAUDNOKUNAHROPA-XZVVQQHRSA-N
XLogP9.44
TPSA157.96 Ų
H-Bond Donors3
H-Bond Acceptors13
Rotatable Bonds12
Heavy Atoms79
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001084.37
LogP ≤ 59.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1013

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

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Related Compounds

5-[[(3S)-3-[[3-cyclohexyl-1-methyl-2-(2-pyridyl)indole-6-carbonyl]amino]piperidine-3-carbonyl]amino]-1-methyl-indole-2-carboxylic acid
CID 54582740
4-[[6-[(4-fluorophenyl)methyl]-3-methyl-1-[2-[(2S)-5-methyl-2-[(3-methylmorpholin-4-yl)methyl]-4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]acetyl]-2H-pyrrolo[3,2-b]pyridine-3-carbonyl]amino]benzoic acid
CID 132136855
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
ethyl (3R)-2-(propan-2-ylcarbamoyl)-3-propyl-4-(3-pyridin-3-ylphenyl)-1,3-dihydropyrrolo[3,4-c]pyridine-6-carboxylate;(3R)-2-N-propan-2-yl-3-propyl-4-(3-pyridin-3-ylphenyl)-6-N-(2,2,2-trifluoroethyl)-1,3-dihydropyrrolo[3,4-c]pyridine-2,6-dicarboxamide;2,2,2-trifluoroethanamine;trimethylalumane
CID 157899035
3-(aminomethyl)-4,6-dimethyl-1H-pyridin-2-one;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid
CID 158749894
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;1-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;1-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-6-methyl-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 1-(6,7-dihydro-5H-cyclopenta[b]pyridin-4-yl)-5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methylindolizine-7-carboxylate;hydrochloride
CID 158910214
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-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 6-methyl-2-(2-methylpyrazol-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylate
CID 159043135
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(2-propan-2-yl-4-pyridinyl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(2-propan-2-yl-4-pyridinyl)indolizine-7-carboxylate;hydrochloride
CID 159369975
3-(aminomethyl)-4-methoxy-6-methyl-1H-pyridin-2-one;N-[(4-methoxy-6-methyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxamide;6-methyl-1-(6-methylpyridazin-3-yl)-5-[1-[4-(2,2,2-trifluoroethyl)piperazin-1-yl]ethyl]indolizine-7-carboxylic acid;propan-2-yl 5-[1-(4-ethylpiperazin-1-yl)ethyl]-6-methyl-1-(6-methyl-3,4,5,6-tetrahydropyridazin-3-yl)indolizine-7-carboxylate;hydrochloride
CID 159627072
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

Frequently Asked Questions

What is the IUPAC name of deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid?
The IUPAC name of deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid (CID 157231445) is deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid.
What is the SMILES notation for deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid?
The canonical SMILES for deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid is C.Cc1c(C(=O)O)cc2c(-c3cccc(N4CCOCC4)c3)ccn2c1C(C)N1CCOCC1.Cc1cc(C)c(CNC(=O)c2cc3c(-c4cccc(N5CCOCC5)c4)ccn3c(C(C)N3CCOCC3)c2C)c(=O)[nH]1.[2H]CF.
What is the InChIKey of deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid?
The InChIKey is AUDNOKUNAHROPA-XZVVQQHRSA-N. The full InChI is InChI=1S/C34H41N5O4.C26H31N3O4.CH3F.CH4/c1-22-18-23(2)36-34(41)30(22)21-35-33(40)29-20-31-28(26-6-5-7-27(19-26)38-12-16-43-17-13-38)8-9-39(31)32(24(29)3)25(4)37-10-14-42-15-11-37;1-18-23(26(30)31)17-24-22(20-4-3-5-21(16-20)28-10-14-33-15-11-28)6-7-29(24)25(18)19(2)27-8-12-32-13-9-27;1-2;/h5-9,18-20,25H,10-17,21H2,1-4H3,(H,35,40)(H,36,41);3-7,16-17,19H,8-15H2,1-2H3,(H,30,31);1H3;1H4/i;;1D;.
What are the key properties of deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid?
deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid has a molecular weight of 1084.37 g/mol, XLogP of 9.44, 12 rotatable bonds, 3 hydrogen bond donors, and 13 hydrogen bond acceptors.
Where does this data come from?
All data for deuterio(fluoro)methane;N-[(4,6-dimethyl-2-oxo-1H-pyridin-3-yl)methyl]-6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxamide;methane;6-methyl-5-(1-morpholin-4-ylethyl)-1-(3-morpholin-4-ylphenyl)indolizine-7-carboxylic acid is sourced from PubChem (CID 157231445), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).