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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine

C158H150N40O11S2 — CID 162055424

IUPACtris(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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
SMILESC.C.C.CCc1c(C)nn(-c2ncnc3ccccc23)c1C.CCc1cn(-c2ccnc3c2C=CC3)nc1C.Cc1cc(C)n(-c2ncnc3ccsc23)n1.Cc1cc(C)n(-c2ncnc3sccc23)n1.Cc1cc(C)n(-c2nncc3ccccc23)n1.Cc1ccccc1-c1c(C)nn(-c2cncc(C(N)=O)c2)c1C.Cc1nn(-c2ccnc3c2C=CC3)cc1-c1cncnc1.Cc1nn(-c2ccnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2ncnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2nnc3c(n2)Cc2ccccc2-3)c(C)c1-c1ccc2ccccc2c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H19N5.C18H18N4O.C16H13N5.C15H16N4.C15H13N3O2.C14H12N4O2.C14H15N3.C13H12N4.2C11H10N4S.3CO2.3CH4/c1-15-23(20-12-11-17-7-3-4-8-18(17)13-20)16(2)30(29-15)25-26-22-14-19-9-5-6-10-21(19)24(22)27-28-25;1-11-6-4-5-7-16(11)17-12(2)21-22(13(17)3)15-8-14(18(19)23)9-20-10-15;1-11-14(12-7-17-10-18-8-12)9-21(20-11)16-5-6-19-15-4-2-3-13(15)16;1-4-12-10(2)18-19(11(12)3)15-13-7-5-6-8-14(13)16-9-17-15;1-9-14(15(19)20)10(2)18(17-9)13-7-8-16-12-6-4-3-5-11(12)13;1-8-12(14(19)20)9(2)18(17-8)13-10-5-3-4-6-11(10)15-7-16-13;1-3-11-9-17(16-10(11)2)14-7-8-15-13-6-4-5-12(13)14;1-9-7-10(2)17(16-9)13-12-6-4-3-5-11(12)8-14-15-13;1-7-5-8(2)15(14-7)11-10-9(3-4-16-10)12-6-13-11;1-7-5-8(2)15(14-7)10-9-3-4-16-11(9)13-6-12-10;3*2-1-3;;;/h3-13H,14H2,1-2H3;4-10H,1-3H3,(H2,19,23);2-3,5-10H,4H2,1H3;5-9H,4H2,1-3H3;3-8H,1-2H3,(H,19,20);3-7H,1-2H3,(H,19,20);4-5,7-9H,3,6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;;;;3*1H4
InChIKeyYZCOAHUTDFXRID-UHFFFAOYSA-N
MW2849.34 g/mol
LogP28.77
Rot. Bonds18

About 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine

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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine (PubChem CID 162055424) has the molecular formula C158H150N40O11S2 and a molecular weight of 2849.34 g/mol. Its IUPAC name is 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine.

Molecular Properties

Compound Nametris(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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
PubChem CID162055424
Molecular FormulaC158H150N40O11S2
Molecular Weight2849.34 g/mol
Exact Mass2847.18
IUPAC Nametris(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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine
SMILESC.C.C.CCc1c(C)nn(-c2ncnc3ccccc23)c1C.CCc1cn(-c2ccnc3c2C=CC3)nc1C.Cc1cc(C)n(-c2ncnc3ccsc23)n1.Cc1cc(C)n(-c2ncnc3sccc23)n1.Cc1cc(C)n(-c2nncc3ccccc23)n1.Cc1ccccc1-c1c(C)nn(-c2cncc(C(N)=O)c2)c1C.Cc1nn(-c2ccnc3c2C=CC3)cc1-c1cncnc1.Cc1nn(-c2ccnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2ncnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2nnc3c(n2)Cc2ccccc2-3)c(C)c1-c1ccc2ccccc2c1.O=C=O.O=C=O.O=C=O
InChIInChI=1S/C25H19N5.C18H18N4O.C16H13N5.C15H16N4.C15H13N3O2.C14H12N4O2.C14H15N3.C13H12N4.2C11H10N4S.3CO2.3CH4/c1-15-23(20-12-11-17-7-3-4-8-18(17)13-20)16(2)30(29-15)25-26-22-14-19-9-5-6-10-21(19)24(22)27-28-25;1-11-6-4-5-7-16(11)17-12(2)21-22(13(17)3)15-8-14(18(19)23)9-20-10-15;1-11-14(12-7-17-10-18-8-12)9-21(20-11)16-5-6-19-15-4-2-3-13(15)16;1-4-12-10(2)18-19(11(12)3)15-13-7-5-6-8-14(13)16-9-17-15;1-9-14(15(19)20)10(2)18(17-9)13-7-8-16-12-6-4-3-5-11(12)13;1-8-12(14(19)20)9(2)18(17-8)13-10-5-3-4-6-11(10)15-7-16-13;1-3-11-9-17(16-10(11)2)14-7-8-15-13-6-4-5-12(13)14;1-9-7-10(2)17(16-9)13-12-6-4-3-5-11(12)8-14-15-13;1-7-5-8(2)15(14-7)11-10-9(3-4-16-10)12-6-13-11;1-7-5-8(2)15(14-7)10-9-3-4-16-11(9)13-6-12-10;3*2-1-3;;;/h3-13H,14H2,1-2H3;4-10H,1-3H3,(H2,19,23);2-3,5-10H,4H2,1H3;5-9H,4H2,1-3H3;3-8H,1-2H3,(H,19,20);3-7H,1-2H3,(H,19,20);4-5,7-9H,3,6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;;;;3*1H4
InChIKeyYZCOAHUTDFXRID-UHFFFAOYSA-N
XLogP28.77
TPSA643.22 Ų
H-Bond Donors3
H-Bond Acceptors50
Rotatable Bonds18
Heavy Atoms211
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002849.34
LogP ≤ 528.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1050

Analyze 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine with MolForge

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Launch Full Analysis

Related Compounds

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
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
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
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
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;3,5-dimethyl-1-quinolin-4-ylpyrazole-4-carboxylic acid;methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide
CID 160752642
1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;tris(carbon dioxide);1-(7H-cyclopenta[d]pyrimidin-4-yl)-4-methylpyrrole-3-carboxylic acid;bis(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 161983617

Frequently Asked Questions

What is the IUPAC name of 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
The IUPAC name of 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine (CID 162055424) is 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine.
What is the SMILES notation for 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
The canonical SMILES for 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine is C.C.C.CCc1c(C)nn(-c2ncnc3ccccc23)c1C.CCc1cn(-c2ccnc3c2C=CC3)nc1C.Cc1cc(C)n(-c2ncnc3ccsc23)n1.Cc1cc(C)n(-c2ncnc3sccc23)n1.Cc1cc(C)n(-c2nncc3ccccc23)n1.Cc1ccccc1-c1c(C)nn(-c2cncc(C(N)=O)c2)c1C.Cc1nn(-c2ccnc3c2C=CC3)cc1-c1cncnc1.Cc1nn(-c2ccnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2ncnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2nnc3c(n2)Cc2ccccc2-3)c(C)c1-c1ccc2ccccc2c1.O=C=O.O=C=O.O=C=O.
What is the InChIKey of 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
The InChIKey is YZCOAHUTDFXRID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N5.C18H18N4O.C16H13N5.C15H16N4.C15H13N3O2.C14H12N4O2.C14H15N3.C13H12N4.2C11H10N4S.3CO2.3CH4/c1-15-23(20-12-11-17-7-3-4-8-18(17)13-20)16(2)30(29-15)25-26-22-14-19-9-5-6-10-21(19)24(22)27-28-25;1-11-6-4-5-7-16(11)17-12(2)21-22(13(17)3)15-8-14(18(19)23)9-20-10-15;1-11-14(12-7-17-10-18-8-12)9-21(20-11)16-5-6-19-15-4-2-3-13(15)16;1-4-12-10(2)18-19(11(12)3)15-13-7-5-6-8-14(13)16-9-17-15;1-9-14(15(19)20)10(2)18(17-9)13-7-8-16-12-6-4-3-5-11(12)13;1-8-12(14(19)20)9(2)18(17-8)13-10-5-3-4-6-11(10)15-7-16-13;1-3-11-9-17(16-10(11)2)14-7-8-15-13-6-4-5-12(13)14;1-9-7-10(2)17(16-9)13-12-6-4-3-5-11(12)8-14-15-13;1-7-5-8(2)15(14-7)11-10-9(3-4-16-10)12-6-13-11;1-7-5-8(2)15(14-7)10-9-3-4-16-11(9)13-6-12-10;3*2-1-3;;;/h3-13H,14H2,1-2H3;4-10H,1-3H3,(H2,19,23);2-3,5-10H,4H2,1H3;5-9H,4H2,1-3H3;3-8H,1-2H3,(H,19,20);3-7H,1-2H3,(H,19,20);4-5,7-9H,3,6H2,1-2H3;3-8H,1-2H3;2*3-6H,1-2H3;;;;3*1H4.
What are the key properties of 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine?
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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine has a molecular weight of 2849.34 g/mol, XLogP of 28.77, 18 rotatable bonds, 3 hydrogen bond donors, and 50 hydrogen bond acceptors.
Where does this data come from?
All data for 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;4-(4-ethyl-3-methylpyrazol-1-yl)-7H-cyclopenta[b]pyridine;methane;4-(3-methyl-4-pyrimidin-5-ylpyrazol-1-yl)-7H-cyclopenta[b]pyridine is sourced from PubChem (CID 162055424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).