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

C99H88N22O6 — CID 160752642

IUPACcarbon 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
SMILESC.C=CC(=O)Nc1cc(-n2cc(-c3ccc4c(c3)CC/C4=N\C)c(-c3ccncc3)n2)ccn1.Cc1cc(C)n(-c2nncc3ccccc23)n1.Cc1ccccc1-c1c(C)nn(-c2cncc(C(N)=O)c2)c1C.Cc1nn(-c2ccnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2nnc3c(n2)Cc2ccccc2-3)c(C)c1-c1ccc2ccccc2c1.O=C=O
InChIInChI=1S/C26H22N6O.C25H19N5.C18H18N4O.C15H13N3O2.C13H12N4.CO2.CH4/c1-3-25(33)30-24-15-20(10-13-29-24)32-16-22(26(31-32)17-8-11-28-12-9-17)19-4-6-21-18(14-19)5-7-23(21)27-2;1-15-23(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;1-9-14(15(19)20)10(2)18(17-9)13-7-8-16-12-6-4-3-5-11(12)13;1-9-7-10(2)17(16-9)13-12-6-4-3-5-11(12)8-14-15-13;2-1-3;/h3-4,6,8-16H,1,5,7H2,2H3,(H,29,30,33);3-13H,14H2,1-2H3;4-10H,1-3H3,(H2,19,23);3-8H,1-2H3,(H,19,20);3-8H,1-2H3;;1H4/b27-23+;;;;;;
InChIKeyRXAIWOSAGUJJMW-WYCNKCPPSA-N
MW1681.94 g/mol
LogP17.73
Rot. Bonds13

About 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

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 (PubChem CID 160752642) has the molecular formula C99H88N22O6 and a molecular weight of 1681.94 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namecarbon 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
PubChem CID160752642
Molecular FormulaC99H88N22O6
Molecular Weight1681.94 g/mol
Exact Mass1680.73
IUPAC Namecarbon 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
SMILESC.C=CC(=O)Nc1cc(-n2cc(-c3ccc4c(c3)CC/C4=N\C)c(-c3ccncc3)n2)ccn1.Cc1cc(C)n(-c2nncc3ccccc23)n1.Cc1ccccc1-c1c(C)nn(-c2cncc(C(N)=O)c2)c1C.Cc1nn(-c2ccnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2nnc3c(n2)Cc2ccccc2-3)c(C)c1-c1ccc2ccccc2c1.O=C=O
InChIInChI=1S/C26H22N6O.C25H19N5.C18H18N4O.C15H13N3O2.C13H12N4.CO2.CH4/c1-3-25(33)30-24-15-20(10-13-29-24)32-16-22(26(31-32)17-8-11-28-12-9-17)19-4-6-21-18(14-19)5-7-23(21)27-2;1-15-23(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;1-9-14(15(19)20)10(2)18(17-9)13-7-8-16-12-6-4-3-5-11(12)13;1-9-7-10(2)17(16-9)13-12-6-4-3-5-11(12)8-14-15-13;2-1-3;/h3-4,6,8-16H,1,5,7H2,2H3,(H,29,30,33);3-13H,14H2,1-2H3;4-10H,1-3H3,(H2,19,23);3-8H,1-2H3,(H,19,20);3-8H,1-2H3;;1H4/b27-23+;;;;;;
InChIKeyRXAIWOSAGUJJMW-WYCNKCPPSA-N
XLogP17.73
TPSA361.10 Ų
H-Bond Donors3
H-Bond Acceptors25
Rotatable Bonds13
Heavy Atoms127
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001681.94
LogP ≤ 517.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1025

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}

Analyze 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 with MolForge

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Related Compounds

acetic acid;carbon dioxide;1-(7H-cyclopenta[d]pyrimidin-4-yl)pyrazole-3-carboxylic acid;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline;1-[5-(3-pyrazin-2-ylpyrazol-1-yl)-3-pyridinyl]ethanone;4-pyrazol-1-ylquinazoline
CID 157812956
acetic acid;1-(6-acetyl-2-methyl-3-pyridinyl)-5-amino-3-methylpyrazole-4-carboxamide;3-(3,5-dimethylpyrazol-1-yl)quinoline;bis(N-ethanimidoyl-4-methyl-1-quinolin-3-ylpyrrole-3-carboxamide);methane;N-[4-[4-(1-methylimino-2,3-dihydroinden-5-yl)-3-pyridin-4-ylpyrazol-1-yl]-2-pyridinyl]prop-2-enamide;N-[6-(5-methyl-3-phenylpyrazol-1-yl)pyridazin-3-yl]-3-(6-oxo-1H-pyridin-3-yl)benzamide;6-oxo-N-[5-[3-piperidin-1-yl-5-(trifluoromethyl)pyrazol-1-yl]-2-pyridinyl]-1-propylpyridine-3-carboxamide;4-(3-pyrazin-2-ylpyrazol-1-yl)isoquinoline
CID 161135962
1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;3-bromo-1-methylpyrazolo[4,3-b]pyridine;3-bromo-2H-pyrazolo[4,3-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;1H-pyrazolo[4,5-b]pyridine;1-pyrazolo[4,5-b]pyridin-1-ylethanone
CID 157326796
N-tert-butyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;N,N-diethyl-2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxamide;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-1H-benzimidazole-4-carboxylic acid;2-(5-isoquinolin-4-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-N-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 157423914
1-benzyl-5-isocyano-3-naphthalen-2-ylpyrazolo[5,4-b]pyridine;5-isocyano-3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine;N-(2-methyl-3-pyridinyl)acetamide;3-naphthalen-2-yl-2H-pyrazolo[3,4-b]pyridine-5-carboxylic acid;3-naphthalen-2-yl-1H-pyrazolo[3,4-c]pyridine-5-carboxylic acid
CID 157896907
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
N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-1-carboxamide;N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]isoquinoline-3-carboxamide;N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]-2-methylnaphthalene-1-carboxamide;N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]naphthalene-1-carboxamide;N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-2-carboxamide;N-[[4-[4-amino-1-(3-hydroxycyclopentyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]methyl]quinoline-8-carboxamide
CID 158699644
3-[[3-(7H-cyclopenta[b]pyridin-3-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[(3-imidazo[1,5-a]pyridin-6-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(1H-indazol-4-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(1H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[(3-indolizin-6-ylphenyl)methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(3-methyl-2H-indazol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(1-methylindol-6-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one;3-[[3-(2-oxo-1,3-dihydroinden-5-yl)phenyl]methyl]pyrido[2,3-d]pyrimidin-4-one
CID 159252680
2-methyl-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1,3-dihydroisoindole-5-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyridazine-4-carboxamide;6-(4-methylpiperazin-1-yl)-N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]pyrimidine-4-carboxamide;N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2,3-dihydro-1H-indene-5-carboxamide;bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-2-phenylacetamide);bis(N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropanamide);N-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-5,6,7,8-tetrahydronaphthalene-2-carboxamide
CID 159623072
4-tert-butyl-6-(difluoromethyl)-7-(1-methylpyrazol-4-yl)isoquinoline;5-(8-tert-butyl-4-fluoroisoquinolin-3-yl)-N-methylpyridine-2-carboxamide;8-tert-butylimidazo[1,2-a]pyridine-2-carboxylic acid;5-tert-butyl-3-methyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-3,4-dihydro-1H-isoquinoline;5-tert-butyl-2-(1-methylpyrazol-4-yl)-1,4-dihydroisoquinolin-3-one;8-tert-butyl-3-(1-methylpyrazol-4-yl)isoquinoline;4-(5-tert-butylnaphthalen-2-yl)-1-methylpyrazole
CID 159712341
1-(2,3-dihydro-1H-inden-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2,3-dihydro-1H-indol-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-1,3-dihydroisoindol-5-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyridazin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]ethanone;bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-4-phenylbutan-2-one);bis(1-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-3-phenylpropan-2-one);bis(2-[6-(1-methylpyrazol-4-yl)isoquinolin-3-yl]-1-(5,6,7,8-tetrahydronaphthalen-2-yl)ethanone)
CID 159794059
2-[1-[[6-[(4-Methylbenzoyl)amino]-3-pyridinyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(6-methylpyridine-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[4-[(1-methylpyrrole-3-carbonyl)amino]phenyl]methyl]indazol-3-yl]acetic acid;2-[1-[[5-(naphthalene-2-carbonylamino)pyrazin-2-yl]methyl]indazol-3-yl]acetic acid
CID 159963416

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C.C=CC(=O)Nc1cc(-n2cc(-c3ccc4c(c3)CC/C4=N\C)c(-c3ccncc3)n2)ccn1.Cc1cc(C)n(-c2nncc3ccccc23)n1.Cc1ccccc1-c1c(C)nn(-c2cncc(C(N)=O)c2)c1C.Cc1nn(-c2ccnc3ccccc23)c(C)c1C(=O)O.Cc1nn(-c2nnc3c(n2)Cc2ccccc2-3)c(C)c1-c1ccc2ccccc2c1.O=C=O.
What is the InChIKey of 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?
The InChIKey is RXAIWOSAGUJJMW-WYCNKCPPSA-N. The full InChI is InChI=1S/C26H22N6O.C25H19N5.C18H18N4O.C15H13N3O2.C13H12N4.CO2.CH4/c1-3-25(33)30-24-15-20(10-13-29-24)32-16-22(26(31-32)17-8-11-28-12-9-17)19-4-6-21-18(14-19)5-7-23(21)27-2;1-15-23(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;1-9-14(15(19)20)10(2)18(17-9)13-7-8-16-12-6-4-3-5-11(12)13;1-9-7-10(2)17(16-9)13-12-6-4-3-5-11(12)8-14-15-13;2-1-3;/h3-4,6,8-16H,1,5,7H2,2H3,(H,29,30,33);3-13H,14H2,1-2H3;4-10H,1-3H3,(H2,19,23);3-8H,1-2H3,(H,19,20);3-8H,1-2H3;;1H4/b27-23+;;;;;;.
What are the key properties of 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?
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 has a molecular weight of 1681.94 g/mol, XLogP of 17.73, 13 rotatable bonds, 3 hydrogen bond donors, and 25 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160752642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).