ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate

C119H115N25O13 — CID 158618825

IUPACethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)C=CC(=O)C4)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)CCN4C)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)ncn4C)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4nc(C)ccc4c3)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4nc[nH]c4c3)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4ncccc4c3)cc2n1
InChIInChI=1S/C21H20N4O2.C21H19N3O3.C20H22N4O2.C20H18N4O2.C19H19N5O2.C18H17N5O2/c1-4-16-11-19(21(26)27-5-2)23-20-12-18(24-25(16)20)15-8-9-17-14(10-15)7-6-13(3)22-17;1-3-16-11-19(21(26)27-4-2)22-20-12-18(23-24(16)20)15-6-5-14-10-17(25)8-7-13(14)9-15;1-4-15-11-17(20(25)26-5-2)21-19-12-16(22-24(15)19)13-6-7-18-14(10-13)8-9-23(18)3;1-3-15-11-18(20(25)26-4-2)22-19-12-17(23-24(15)19)14-7-8-16-13(10-14)6-5-9-21-16;1-4-13-9-16(19(25)26-5-2)21-18-10-14(22-24(13)18)12-6-7-17-15(8-12)20-11-23(17)3;1-3-12-8-16(18(24)25-4-2)21-17-9-14(22-23(12)17)11-5-6-13-15(7-11)20-10-19-13/h6-12H,4-5H2,1-3H3;5-9,11-12H,3-4,10H2,1-2H3;6-7,10-12H,4-5,8-9H2,1-3H3;5-12H,3-4H2,1-2H3;6-11H,4-5H2,1-3H3;5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyHXSSMNBJDRROAD-UHFFFAOYSA-N
MW2103.39 g/mol
LogP20.11
Rot. Bonds24

About ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate

ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (PubChem CID 158618825) has the molecular formula C119H115N25O13 and a molecular weight of 2103.39 g/mol. Its IUPAC name is ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
PubChem CID158618825
Molecular FormulaC119H115N25O13
Molecular Weight2103.39 g/mol
Exact Mass2101.91
IUPAC Nameethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)C=CC(=O)C4)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)CCN4C)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)ncn4C)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4nc(C)ccc4c3)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4nc[nH]c4c3)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4ncccc4c3)cc2n1
InChIInChI=1S/C21H20N4O2.C21H19N3O3.C20H22N4O2.C20H18N4O2.C19H19N5O2.C18H17N5O2/c1-4-16-11-19(21(26)27-5-2)23-20-12-18(24-25(16)20)15-8-9-17-14(10-15)7-6-13(3)22-17;1-3-16-11-19(21(26)27-4-2)22-20-12-18(23-24(16)20)15-6-5-14-10-17(25)8-7-13(14)9-15;1-4-15-11-17(20(25)26-5-2)21-19-12-16(22-24(15)19)13-6-7-18-14(10-13)8-9-23(18)3;1-3-15-11-18(20(25)26-4-2)22-19-12-17(23-24(15)19)14-7-8-16-13(10-14)6-5-9-21-16;1-4-13-9-16(19(25)26-5-2)21-18-10-14(22-24(13)18)12-6-7-17-15(8-12)20-11-23(17)3;1-3-12-8-16(18(24)25-4-2)21-17-9-14(22-23(12)17)11-5-6-13-15(7-11)20-10-19-13/h6-12H,4-5H2,1-3H3;5-9,11-12H,3-4,10H2,1-2H3;6-7,10-12H,4-5,8-9H2,1-3H3;5-12H,3-4H2,1-2H3;6-11H,4-5H2,1-3H3;5-10H,3-4H2,1-2H3,(H,19,20)
InChIKeyHXSSMNBJDRROAD-UHFFFAOYSA-N
XLogP20.11
TPSA431.53 Ų
H-Bond Donors1
H-Bond Acceptors37
Rotatable Bonds24
Heavy Atoms157
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002103.39
LogP ≤ 520.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1037

Computed Properties (RDKit)

Structural Alerts{'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Analyze ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate with MolForge

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Related Compounds

N-[3-[2-[6-(1H-imidazol-2-yl)-4-[6-[2-methyl-5-[[3-(trifluoromethyl)benzoyl]amino]pyridin-3-yl]-3-[[2-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)-4-[[3-(trifluoromethyl)benzoyl]amino]phenyl]methyl]imidazo[1,2-b]pyridazin-8-yl]morpholin-2-yl]-8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl]-4-methylphenyl]-3-(trifluoromethyl)benzamide
CID 130425808
3-[7-(difluoromethyl)-6-[1-[2-[[3-[6-[1-methyl-5-[[4-[2-[6-(1-methylpyrazol-4-yl)-3,4-dihydro-2H-quinolin-1-yl]-5H-pyrrolo[2,3-b]pyrazin-7-yl]pyrazol-1-yl]methyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-1-(oxan-4-yl)indazole-5-carbonyl]amino]ethyl]pyrazol-4-yl]-3,4-dihydro-2H-quinolin-1-yl]-N-methyl-1-(oxan-4-yl)indazole-5-carboxamide
CID 132181733
N-[5-[2-[3-[4-[2-[3-[6-[[5-fluoro-1-(pyridin-4-ylmethyl)indole-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-[[1-[2-(1-phenylethoxy)ethyl]imidazo[4,5-c]pyridine-6-carbonyl]amino]-2-pyridinyl]-1,2,4-triazol-4-yl]propyl]-6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]-1-[2-(pyridin-4-ylmethoxy)ethyl]imidazo[4,5-c]pyridine-6-carboxamide
CID 154991766
N-[4-methyl-3-(1-methyl-7-morpholin-4-ylpyrazolo[4,5-d]pyrimidin-5-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[4-methyl-3-(4-morpholin-4-yl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidin-2-yl)phenyl]-3-(trifluoromethyl)benzamide;N-[6-methyl-5-[8-[2-(3H-pyrrol-2-yl)morpholin-4-yl]imidazo[1,2-b]pyridazin-6-yl]-3-pyridinyl]-3-(trifluoromethyl)benzamide
CID 160418566
CID 160684081
CID 160684081
ethyl 2-[2-(6-imidazol-1-ylpyridazin-3-yl)-2-oxoethyl]cycloheptene-1-carboxylate;N-[1-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)naphthalen-2-yl]-6-imidazol-1-ylpyridazine-3-carboxamide;6-imidazol-1-yl-N-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]pyridazine-3-carboxamide;methyl 5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1H-indazole-6-carboxylate;methyl 4-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-1-methylpyrazole-3-carboxylate
CID 162292117
Methyl 3-(4-methylphenyl)-8-quinolin-4-ylpyrrolo[1,2-a]pyrimidine-6-carboxylate;7-methyl-4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(3-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline;4-[6-(4-piperazin-1-ylphenyl)pyrazolo[1,5-a]pyrimidin-3-yl]quinoline
CID 123169769
[6-[2-[[2-acetamido-4-[6-[2-[(3-acetamidoanilino)methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]anilino]methyl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]methyl 4-[[5-(6-methyl-2-pyridinyl)-4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)-1H-imidazol-2-yl]methylamino]benzoate
CID 132035494
ethyl 3-methyl-5-[7-[4-[4-[4-(2-methylpyrazol-3-yl)-7-(piperidine-1-carbonyl)quinazolin-2-yl]phenyl]piperidine-1-carbonyl]quinoxalin-2-yl]-1H-indole-2-carboxylate
CID 135300350
propan-2-yl 6-[4-[2-[6-(1H-indazol-5-ylamino)-2-[2-[(pyridazine-4-carbonylamino)methyl]-1H-indol-6-yl]pyrimidin-4-yl]-4-(1H-pyrazol-4-yl)anilino]pyrimidin-2-yl]-4-[[2-[7-[4-(1H-indazol-5-ylamino)pyrimidin-2-yl]-2-oxo-3,4-dihydro-1H-1,5-benzodiazepin-5-yl]acetyl]oxymethyl]-1H-indole-2-carboxylate
CID 137387420
1,4-dimethyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-1,4-dimethylpyrrole-2-carboxamide;N-[3-[4-(1H-indazol-5-yl)phenyl]propyl]-6-methylpyridine-3-carboxamide;N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]quinoxaline-2-carboxamide;6-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazine-2-carboxamide;2-methyl-N-[3-[4-(1-methylindazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;2-methyl-N-[3-[4-(4-methyl-1H-indazol-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide;6-methyl-N-[3-[4-(7-methyl-1H-indazol-5-yl)phenyl]propyl]pyridine-3-carboxamide;2-methyl-N-[3-[4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]propyl]pyrazolo[1,5-a]pyrimidine-6-carboxamide
CID 157196899
carbanide;(3R)-4-[2-chloro-6-(3,5-dimethyltriazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine;[4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indol-6-yl]methanol;ethane;methane;methyl 4-[4-(3,5-dimethyltriazol-4-yl)-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]-1H-indole-6-carboxylate;methyl 4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)-1H-indole-6-carboxylate;tungsten
CID 157213410

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate (CID 158618825) is ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)C=CC(=O)C4)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)CCN4C)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4c(c3)ncn4C)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4nc(C)ccc4c3)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4nc[nH]c4c3)cc2n1.CCOC(=O)c1cc(CC)n2nc(-c3ccc4ncccc4c3)cc2n1.
What is the InChIKey of ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
The InChIKey is HXSSMNBJDRROAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N4O2.C21H19N3O3.C20H22N4O2.C20H18N4O2.C19H19N5O2.C18H17N5O2/c1-4-16-11-19(21(26)27-5-2)23-20-12-18(24-25(16)20)15-8-9-17-14(10-15)7-6-13(3)22-17;1-3-16-11-19(21(26)27-4-2)22-20-12-18(23-24(16)20)15-6-5-14-10-17(25)8-7-13(14)9-15;1-4-15-11-17(20(25)26-5-2)21-19-12-16(22-24(15)19)13-6-7-18-14(10-13)8-9-23(18)3;1-3-15-11-18(20(25)26-4-2)22-19-12-17(23-24(15)19)14-7-8-16-13(10-14)6-5-9-21-16;1-4-13-9-16(19(25)26-5-2)21-18-10-14(22-24(13)18)12-6-7-17-15(8-12)20-11-23(17)3;1-3-12-8-16(18(24)25-4-2)21-17-9-14(22-23(12)17)11-5-6-13-15(7-11)20-10-19-13/h6-12H,4-5H2,1-3H3;5-9,11-12H,3-4,10H2,1-2H3;6-7,10-12H,4-5,8-9H2,1-3H3;5-12H,3-4H2,1-2H3;6-11H,4-5H2,1-3H3;5-10H,3-4H2,1-2H3,(H,19,20).
What are the key properties of ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate?
ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate has a molecular weight of 2103.39 g/mol, XLogP of 20.11, 24 rotatable bonds, 1 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3H-benzimidazol-5-yl)-7-ethylpyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(1-methylbenzimidazol-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-(2-methylquinolin-6-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-(6-oxo-5H-naphthalen-2-yl)pyrazolo[1,5-a]pyrimidine-5-carboxylate;ethyl 7-ethyl-2-quinolin-6-ylpyrazolo[1,5-a]pyrimidine-5-carboxylate is sourced from PubChem (CID 158618825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).