bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid

C98H87N21O13S2 — CID 158887929

IUPACbis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
SMILESCC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cn(-c2ccnc3ccccc23)cc1C.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1ccn(-c2ccnc(C(N)=O)c2)c1.Cc1cn(-c2ncnc3ccsc23)cc1C(=O)O.Cc1cn(-c2ncnc3sccc23)cc1C(=O)O.O=C=O.O=C=O.[H]/N=C(\C)NC(=O)c1cn(-c2ccnc3ccccc23)cc1C
InChIInChI=1S/C17H16N4O.C16H15N3O.C16H14N2O.2C12H9N3O2S.C12H13N3O.C11H11N3O.2CO2/c1-11-9-21(10-14(11)17(22)20-12(2)18)16-7-8-19-15-6-4-3-5-13(15)16;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-11-9-18(10-14(11)12(2)19)16-7-8-17-15-6-4-3-5-13(15)16;1-7-4-15(5-8(7)12(16)17)11-10-9(2-3-18-10)13-6-14-11;1-7-4-15(5-9(7)12(16)17)10-8-2-3-18-11(8)14-6-13-10;1-8-6-9(2)15(14-8)11-4-5-13-12(7-11)10(3)16;1-8-3-5-14(7-8)9-2-4-13-10(6-9)11(12)15;2*2-1-3/h3-10H,1-2H3,(H2,18,20,22);4-10H,3H2,1-2H3;3-10H,1-2H3;2*2-6H,1H3,(H,16,17);4-7H,1-3H3;2-7H,1H3,(H2,12,15);;
InChIKeyJDWBYFMRFTWGMX-UHFFFAOYSA-N
MW1831.04 g/mol
LogP16.96
Rot. Bonds15

About bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid

bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid (PubChem CID 158887929) has the molecular formula C98H87N21O13S2 and a molecular weight of 1831.04 g/mol. Its IUPAC name is bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid.

Molecular Properties

Compound Namebis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
PubChem CID158887929
Molecular FormulaC98H87N21O13S2
Molecular Weight1831.04 g/mol
Exact Mass1829.62
IUPAC Namebis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
SMILESCC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cn(-c2ccnc3ccccc23)cc1C.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1ccn(-c2ccnc(C(N)=O)c2)c1.Cc1cn(-c2ncnc3ccsc23)cc1C(=O)O.Cc1cn(-c2ncnc3sccc23)cc1C(=O)O.O=C=O.O=C=O.[H]/N=C(\C)NC(=O)c1cn(-c2ccnc3ccccc23)cc1C
InChIInChI=1S/C17H16N4O.C16H15N3O.C16H14N2O.2C12H9N3O2S.C12H13N3O.C11H11N3O.2CO2/c1-11-9-21(10-14(11)17(22)20-12(2)18)16-7-8-19-15-6-4-3-5-13(15)16;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-11-9-18(10-14(11)12(2)19)16-7-8-17-15-6-4-3-5-13(15)16;1-7-4-15(5-8(7)12(16)17)11-10-9(2-3-18-10)13-6-14-11;1-7-4-15(5-9(7)12(16)17)10-8-2-3-18-11(8)14-6-13-10;1-8-6-9(2)15(14-8)11-4-5-13-12(7-11)10(3)16;1-8-3-5-14(7-8)9-2-4-13-10(6-9)11(12)15;2*2-1-3/h3-10H,1-2H3,(H2,18,20,22);4-10H,3H2,1-2H3;3-10H,1-2H3;2*2-6H,1H3,(H,16,17);4-7H,1-3H3;2-7H,1H3,(H2,12,15);;
InChIKeyJDWBYFMRFTWGMX-UHFFFAOYSA-N
XLogP16.96
TPSA466.43 Ų
H-Bond Donors5
H-Bond Acceptors32
Rotatable Bonds15
Heavy Atoms134
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001831.04
LogP ≤ 516.96
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1032

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Analyze bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-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

CID 161361853
CID 161361853
3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzamide;3-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)benzoic acid;N-[4-(4-aminopyrazolo[3,4-d]pyrimidin-1-yl)phenyl]-1-methylimidazole-2-carboxamide;1-(1,3-benzothiazol-2-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-[3-(1H-imidazol-5-yl)phenyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-(1H-indazol-5-yl)pyrazolo[3,4-d]pyrimidin-4-amine;1-(3-methylphenyl)pyrazolo[3,4-d]pyrimidin-4-amine;1-phenylpyrazolo[3,4-d]pyrimidin-4-amine
CID 157053137
acetic acid;1-(2-acetyl-6-methyl-4-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;N-acetyl-3-methyl-1-quinolin-4-ylpyrazole-4-carboxamide;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrazol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
CID 157449682
1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;tetrakis(carbon dioxide);1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;methane;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid
CID 157727079
bis(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;4-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidine;4-(3,5-dimethylpyrazol-1-yl)thieno[3,2-d]pyrimidine;3,5-dimethyl-1-quinazolin-4-ylpyrazole-4-carboxylic acid;(3,5-dimethyl-1-quinazolin-4-ylpyrazol-4-yl)methanamine;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-1H-pyrrolo[2,3-b]pyridine;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 158031565
tris(carbon dioxide);5-[3,5-dimethyl-4-(2-methylphenyl)pyrazol-1-yl]pyridine-3-carboxamide;3-(3,5-dimethyl-4-naphthalen-2-ylpyrazol-1-yl)-5H-indeno[2,1-e][1,2,4]triazine;1-(3,5-dimethylpyrazol-1-yl)phthalazine;4-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidine;4-(3,5-dimethylpyrazol-1-yl)thieno[3,2-d]pyrimidine;3,5-dimethyl-1-quinazolin-4-ylpyrazole-4-carboxylic acid;3,5-dimethyl-1-quinolin-4-ylpyrazole-4-carboxylic acid;4-(4-ethyl-3,5-dimethylpyrazol-1-yl)quinazoline;methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide
CID 158429810
(4aS,8aS)-1,2,3,4,4a,5,6,7,8,8a-decahydroquinoline;[(4aR,8aR)-3,4,4a,5,6,7,8,8a-octahydro-2H-1,7-naphthyridin-1-yl]-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;[(4aS,8aS)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinolin-1-yl]-[2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)-4-pyridinyl]methanone;N-ethyl-N-propan-2-ylpropan-2-amine;methane;5,6,7,8-tetrahydro-1,7-naphthyridine;5,6,7,8-tetrahydroquinoline;2-(5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-3-yl)pyridine-4-carboxylic acid
CID 158836589
ethyl N-[2-[(3-methylimidazole-4-carbonyl)amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-[[4-(4-methylpiperazin-1-yl)-[1,3]thiazolo[4,5-c]pyridine-2-carbonyl]amino]thiophene-3-carbonyl]carbamate;ethyl N-[2-(pyrazolo[1,5-a]pyridine-3-carbonylamino)thiophene-3-carbonyl]carbamate;ethyl N-[2-(quinoline-3-carbonylamino)thiophene-3-carbonyl]carbamate;N-[3-(thiomorpholine-4-carbonyl)thiophen-2-yl]-1,3-benzothiazole-2-carboxamide
CID 159095023
1-(1,3-benzothiazol-2-yl)-5-[[6-(dimethylamino)-4-methyl-2-(methylamino)-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;1-(1,3-benzothiazol-2-yl)-5-[[4-methyl-2-(methylamino)-6-pyrrolidin-1-yl-3-pyridinyl]diazenyl]pyrazole-4-carbonitrile;N-[4,6-diamino-5-[[4-cyano-1-(4,6-dioxo-1H-1,3,5-triazin-2-yl)pyrazol-5-yl]diazenyl]-2-pyridinyl]acetamide;N-[2,6-diamino-5-[[4-cyano-1-(1-methylimidazol-2-yl)pyrazol-5-yl]diazenyl]pyrimidin-4-yl]acetamide;4-methyl-2,6-bis(methylamino)-5-[(4-methylsulfonyl-1-pyridazin-3-ylpyrazol-5-yl)diazenyl]pyridine-3-carboxylic acid
CID 159673363
6-[[6-(4-acetylpyrazol-1-yl)pyrimidin-4-yl]amino]-2-(2-hydroxyethyl)-8-methyl-2,7-naphthyridin-1-one;tris(carbon dioxide);5-[3,5-dimethyl-4-(2-methylphenyl)pyrazol-1-yl]pyridine-3-carboxamide;3-(3,5-dimethyl-4-naphthalen-2-ylpyrazol-1-yl)-5H-indeno[2,1-e][1,2,4]triazine;1-(3,5-dimethylpyrazol-1-yl)phthalazine;4-(3,5-dimethylpyrazol-1-yl)thieno[2,3-d]pyrimidine;4-(3,5-dimethylpyrazol-1-yl)thieno[3,2-d]pyrimidine;3,5-dimethyl-1-quinazolin-4-ylpyrazole-4-carboxylic acid;(3,5-dimethyl-1-quinazolin-4-ylpyrazol-4-yl)methanamine;3,5-dimethyl-1-quinolin-4-ylpyrazole-4-carboxylic acid;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 160057910
bis(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;bis(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 161250885
tris(carbon dioxide);3-[1-(7H-cyclopenta[b]pyridin-4-yl)-3-methylpyrazol-4-yl]cyclohexan-1-ol;tris(1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone);1-(3H-isoindol-1-yl)-3,5-dimethylpyrazole-4-carboxylic acid;1-[1-(3H-isoindol-1-yl)-3,5-dimethylpyrazol-4-yl]ethanone;4-[3-methyl-4-(1-methylindol-5-yl)pyrazol-1-yl]-1H-pyrrolo[2,3-b]pyridine;1-(3-methyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methyl-4-thiophen-3-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
CID 161308507

Frequently Asked Questions

What is the IUPAC name of bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
The IUPAC name of bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid (CID 158887929) is bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid.
What is the SMILES notation for bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
The canonical SMILES for bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid is CC(=O)c1cc(-n2nc(C)cc2C)ccn1.CC(=O)c1cn(-c2ccnc3ccccc23)cc1C.CCc1nn(-c2ccnc3ccccc23)cc1C(C)=O.Cc1ccn(-c2ccnc(C(N)=O)c2)c1.Cc1cn(-c2ncnc3ccsc23)cc1C(=O)O.Cc1cn(-c2ncnc3sccc23)cc1C(=O)O.O=C=O.O=C=O.[H]/N=C(\C)NC(=O)c1cn(-c2ccnc3ccccc23)cc1C.
What is the InChIKey of bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
The InChIKey is JDWBYFMRFTWGMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N4O.C16H15N3O.C16H14N2O.2C12H9N3O2S.C12H13N3O.C11H11N3O.2CO2/c1-11-9-21(10-14(11)17(22)20-12(2)18)16-7-8-19-15-6-4-3-5-13(15)16;1-3-14-13(11(2)20)10-19(18-14)16-8-9-17-15-7-5-4-6-12(15)16;1-11-9-18(10-14(11)12(2)19)16-7-8-17-15-6-4-3-5-13(15)16;1-7-4-15(5-8(7)12(16)17)11-10-9(2-3-18-10)13-6-14-11;1-7-4-15(5-9(7)12(16)17)10-8-2-3-18-11(8)14-6-13-10;1-8-6-9(2)15(14-8)11-4-5-13-12(7-11)10(3)16;1-8-3-5-14(7-8)9-2-4-13-10(6-9)11(12)15;2*2-1-3/h3-10H,1-2H3,(H2,18,20,22);4-10H,3H2,1-2H3;3-10H,1-2H3;2*2-6H,1H3,(H,16,17);4-7H,1-3H3;2-7H,1H3,(H2,12,15);;.
What are the key properties of bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid?
bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid has a molecular weight of 1831.04 g/mol, XLogP of 16.96, 15 rotatable bonds, 5 hydrogen bond donors, and 32 hydrogen bond acceptors.
Where does this data come from?
All data for bis(carbon dioxide);1-[4-(3,5-dimethylpyrazol-1-yl)-2-pyridinyl]ethanone;N-ethanimidoyl-4-methyl-1-quinolin-4-ylpyrrole-3-carboxamide;1-(3-ethyl-1-quinolin-4-ylpyrazol-4-yl)ethanone;4-(3-methylpyrrol-1-yl)pyridine-2-carboxamide;1-(4-methyl-1-quinolin-4-ylpyrrol-3-yl)ethanone;4-methyl-1-thieno[2,3-d]pyrimidin-4-ylpyrrole-3-carboxylic acid;4-methyl-1-thieno[3,2-d]pyrimidin-4-ylpyrrole-3-carboxylic acid is sourced from PubChem (CID 158887929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).