7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

C103H87FN24O16 — CID 159681860

IUPAC7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3F)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4[nH]ccc4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CC(=O)N4)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CC(=O)N4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CCN4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4ncccc4c3)nn12
InChIInChI=1S/C18H16N4O3.C18H18N4O2.C18H14N4O2.C17H14N4O3.C17H14N4O2.C15H11FN4O4/c1-3-12-8-14(18(24)25)19-16-9-13(20-22(12)16)10-4-5-15-11(6-10)7-17(23)21(15)2;1-3-13-9-15(18(23)24)19-17-10-14(20-22(13)17)11-4-5-16-12(8-11)6-7-21(16)2;1-2-13-9-16(18(23)24)20-17-10-15(21-22(13)17)12-5-6-14-11(8-12)4-3-7-19-14;1-2-11-7-14(17(23)24)18-15-8-13(20-21(11)15)9-3-4-12-10(5-9)6-16(22)19-12;1-2-12-8-15(17(22)23)19-16-9-14(20-21(12)16)10-3-4-13-11(7-10)5-6-18-13;1-2-8-6-13(15(21)22)17-14-7-12(18-19(8)14)10-4-3-9(20(23)24)5-11(10)16/h4-6,8-9H,3,7H2,1-2H3,(H,24,25);4-5,8-10H,3,6-7H2,1-2H3,(H,23,24);3-10H,2H2,1H3,(H,23,24);3-5,7-8H,2,6H2,1H3,(H,19,22)(H,23,24);3-9,18H,2H2,1H3,(H,22,23);3-7H,2H2,1H3,(H,21,22)
InChIKeyMVHOYPNDQSETCM-UHFFFAOYSA-N
MW1935.98 g/mol
LogP16.02
Rot. Bonds19

About 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid

7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (PubChem CID 159681860) has the molecular formula C103H87FN24O16 and a molecular weight of 1935.98 g/mol. Its IUPAC name is 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
PubChem CID159681860
Molecular FormulaC103H87FN24O16
Molecular Weight1935.98 g/mol
Exact Mass1934.67
IUPAC Name7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
SMILESCCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3F)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4[nH]ccc4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CC(=O)N4)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CC(=O)N4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CCN4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4ncccc4c3)nn12
InChIInChI=1S/C18H16N4O3.C18H18N4O2.C18H14N4O2.C17H14N4O3.C17H14N4O2.C15H11FN4O4/c1-3-12-8-14(18(24)25)19-16-9-13(20-22(12)16)10-4-5-15-11(6-10)7-17(23)21(15)2;1-3-13-9-15(18(23)24)19-17-10-14(20-22(13)17)11-4-5-16-12(8-11)6-7-21(16)2;1-2-13-9-16(18(23)24)20-17-10-15(21-22(13)17)12-5-6-14-11(8-12)4-3-7-19-14;1-2-11-7-14(17(23)24)18-15-8-13(20-21(11)15)9-3-4-12-10(5-9)6-16(22)19-12;1-2-12-8-15(17(22)23)19-16-9-14(20-21(12)16)10-3-4-13-11(7-10)5-6-18-13;1-2-8-6-13(15(21)22)17-14-7-12(18-19(8)14)10-4-3-9(20(23)24)5-11(10)16/h4-6,8-9H,3,7H2,1-2H3,(H,24,25);4-5,8-10H,3,6-7H2,1-2H3,(H,23,24);3-10H,2H2,1H3,(H,23,24);3-5,7-8H,2,6H2,1H3,(H,19,22)(H,23,24);3-9,18H,2H2,1H3,(H,22,23);3-7H,2H2,1H3,(H,21,22)
InChIKeyMVHOYPNDQSETCM-UHFFFAOYSA-N
XLogP16.02
TPSA529.41 Ų
H-Bond Donors8
H-Bond Acceptors30
Rotatable Bonds19
Heavy Atoms144
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001935.98
LogP ≤ 516.02
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

N-cyclohexyl-4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;4-[[5-(3-methylphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N-(3-morpholin-4-ylpropyl)benzamide;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158754001
CID 160179225
CID 160179225
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyridazin-3-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 164952501
1-[4-[fluoro-[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-2-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[4-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[6-[3-fluoro-5-(trifluoromethyl)benzoyl]pyrimidin-4-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[4-[[3-fluoro-5-(trifluoromethyl)phenyl]-hydroxymethyl]pyrimidin-2-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide;1-[5-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]-4-methylpyridazin-3-yl]-N-propyl-2,3-dihydroindole-4-carboxamide;1-[2-[[3-fluoro-5-(trifluoromethyl)phenyl]methyl]pyrimidin-4-yl]-N-(2-hydroxyethyl)-2,3-dihydroindole-4-carboxamide
CID 165002795
6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide;6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylic acid;methane;sulfanylidene-[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane
CID 157232054
1,5-Dimethyl-7-propan-2-ylindole-2-carboxylic acid;3-methyl-5-(1-methyl-3-propan-2-ylindol-5-yl)-1,2,4-oxadiazole;1-methyl-5-(1-methylpyrazol-4-yl)-3-propan-2-ylindole;1-methyl-3-propan-2-ylindole-5-carboxamide;1-methyl-3-propan-2-yl-5-pyridin-2-ylindole;1-methyl-3-propan-2-yl-5-pyrimidin-2-ylindole;1-methyl-7-propan-2-yl-5-(pyrrolidin-1-ylmethyl)indole-2-carboxylic acid;1-[(3-methyl-2-pyridinyl)methyl]-7-propan-2-ylindole-2-carboxylic acid;1-(2-piperidin-1-ylethyl)-3-propan-2-ylindole-6-carboxamide
CID 157436362
7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157683855
6-[[(2S)-1-amino-1-oxopropan-2-yl]amino]-2-(1H-indol-5-yl)pyrimidine-4-carboxamide;bis(2-(1H-indol-5-yl)-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxamide);2-(1H-indol-5-yl)-6-[(2-oxopyrrolidin-3-yl)amino]pyrimidine-4-carboxylic acid;6-(1-methylindol-5-yl)pyridine-2-carboxamide
CID 157805637
6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]-N,N-dimethylpyridine-2-carboxamide;6-[[(2S,4R)-1-[2-[3-acetyl-5-(2-methylpyrimidin-5-yl)indazol-1-yl]acetyl]-4-fluoropyrrolidine-2-carbonyl]amino]pyridine-2-carboxylic acid;sulfanylidene-[[(sulfanylidene-lambda4-sulfanylidene)-lambda4-sulfanylidene]-lambda4-sulfanylidene]-lambda4-sulfane
CID 157860661
7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-[4-(hydroxymethyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157882648
2-(2-butyl-5-chloro-1H-imidazol-4-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;2-(4-carbamoylphenyl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-[2-fluoro-5-[(2-methylpropan-2-yl)oxycarbonylamino]phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(7-fluoroquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-[4-(methylcarbamoyl)phenyl]pyrazolo[1,5-a]pyrimidine-5-carboxylic acid
CID 157901712
ethyl 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
CID 157984496

Frequently Asked Questions

What is the IUPAC name of 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The IUPAC name of 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid (CID 159681860) is 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The canonical SMILES for 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is CCc1cc(C(=O)O)nc2cc(-c3ccc([N+](=O)[O-])cc3F)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4[nH]ccc4c3)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CC(=O)N4)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CC(=O)N4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4c(c3)CCN4C)nn12.CCc1cc(C(=O)O)nc2cc(-c3ccc4ncccc4c3)nn12.
What is the InChIKey of 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
The InChIKey is MVHOYPNDQSETCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O3.C18H18N4O2.C18H14N4O2.C17H14N4O3.C17H14N4O2.C15H11FN4O4/c1-3-12-8-14(18(24)25)19-16-9-13(20-22(12)16)10-4-5-15-11(6-10)7-17(23)21(15)2;1-3-13-9-15(18(23)24)19-17-10-14(20-22(13)17)11-4-5-16-12(8-11)6-7-21(16)2;1-2-13-9-16(18(23)24)20-17-10-15(21-22(13)17)12-5-6-14-11(8-12)4-3-7-19-14;1-2-11-7-14(17(23)24)18-15-8-13(20-21(11)15)9-3-4-12-10(5-9)6-16(22)19-12;1-2-12-8-15(17(22)23)19-16-9-14(20-21(12)16)10-3-4-13-11(7-10)5-6-18-13;1-2-8-6-13(15(21)22)17-14-7-12(18-19(8)14)10-4-3-9(20(23)24)5-11(10)16/h4-6,8-9H,3,7H2,1-2H3,(H,24,25);4-5,8-10H,3,6-7H2,1-2H3,(H,23,24);3-10H,2H2,1H3,(H,23,24);3-5,7-8H,2,6H2,1H3,(H,19,22)(H,23,24);3-9,18H,2H2,1H3,(H,22,23);3-7H,2H2,1H3,(H,21,22).
What are the key properties of 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid?
7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid has a molecular weight of 1935.98 g/mol, XLogP of 16.02, 19 rotatable bonds, 8 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 7-ethyl-2-(2-fluoro-4-nitrophenyl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(1-methyl-2-oxo-3H-indol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-(2-oxo-1,3-dihydroindol-5-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylic acid;7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 159681860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).