2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate

C63H47F2N25O12 — CID 167708288

IUPAC2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate
SMILESC#Cc1cc(NC(=O)c2cc(N)n3ccnc3n2)c(C(=O)O)cc1F.C=C(F)c1ccc(C(=O)OC)c(NC(=O)c2cc(N)n3ncnc3n2)c1.Nc1cc(C(=O)Nc2cc(C3CC3)ccc2C(=O)O)nn2nnnc12.Nc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)O)nn2nnnc12
InChIInChI=1S/C16H13FN6O3.C16H10FN5O3.C16H11N7O3.C15H13N7O3/c1-8(17)9-3-4-10(15(25)26-2)11(5-9)21-14(24)12-6-13(18)23-16(22-12)19-7-20-23;1-2-8-5-11(9(15(24)25)6-10(8)17)20-14(23)12-7-13(18)22-4-3-19-16(22)21-12;17-11-7-13(20-23-14(11)19-21-22-23)15(24)18-12-6-9-4-2-1-3-8(9)5-10(12)16(25)26;16-10-6-12(19-22-13(10)18-20-21-22)14(23)17-11-5-8(7-1-2-7)3-4-9(11)15(24)25/h3-7H,1,18H2,2H3,(H,21,24);1,3-7H,18H2,(H,20,23)(H,24,25);1-7H,17H2,(H,18,24)(H,25,26);3-7H,1-2,16H2,(H,17,23)(H,24,25)
InChIKeyZLCCGIYWNHZSDY-UHFFFAOYSA-N
MW1384.23 g/mol
LogP5.20
Rot. Bonds14

About 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate

2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate (PubChem CID 167708288) has the molecular formula C63H47F2N25O12 and a molecular weight of 1384.23 g/mol. Its IUPAC name is 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate.

Molecular Properties

Compound Name2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate
PubChem CID167708288
Molecular FormulaC63H47F2N25O12
Molecular Weight1384.23 g/mol
Exact Mass1383.38
IUPAC Name2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate
SMILESC#Cc1cc(NC(=O)c2cc(N)n3ccnc3n2)c(C(=O)O)cc1F.C=C(F)c1ccc(C(=O)OC)c(NC(=O)c2cc(N)n3ncnc3n2)c1.Nc1cc(C(=O)Nc2cc(C3CC3)ccc2C(=O)O)nn2nnnc12.Nc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)O)nn2nnnc12
InChIInChI=1S/C16H13FN6O3.C16H10FN5O3.C16H11N7O3.C15H13N7O3/c1-8(17)9-3-4-10(15(25)26-2)11(5-9)21-14(24)12-6-13(18)23-16(22-12)19-7-20-23;1-2-8-5-11(9(15(24)25)6-10(8)17)20-14(23)12-7-13(18)22-4-3-19-16(22)21-12;17-11-7-13(20-23-14(11)19-21-22-23)15(24)18-12-6-9-4-2-1-3-8(9)5-10(12)16(25)26;16-10-6-12(19-22-13(10)18-20-21-22)14(23)17-11-5-8(7-1-2-7)3-4-9(11)15(24)25/h3-7H,1,18H2,2H3,(H,21,24);1,3-7H,18H2,(H,20,23)(H,24,25);1-7H,17H2,(H,18,24)(H,25,26);3-7H,1-2,16H2,(H,17,23)(H,24,25)
InChIKeyZLCCGIYWNHZSDY-UHFFFAOYSA-N
XLogP5.20
TPSA543.89 Ų
H-Bond Donors11
H-Bond Acceptors30
Rotatable Bonds14
Heavy Atoms102
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001384.23
LogP ≤ 55.20
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1030

Computed Properties (RDKit)

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

Analyze 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate with MolForge

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Related Compounds

5-Fluoro-4-[3-[2-fluoro-5-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methoxycarbonylphenyl]propyl]-2-(tetrazolo[1,5-b]pyridazine-6-carbonylamino)benzoic acid
CID 162752389
ethyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-6-methyl-7,8-dihydro-5H-1,6-naphthyridine-3-carboxylate;N-[2-(1,1,1,3,3,3-hexafluoro-2-hydroxypropan-2-yl)-4-methylphenyl]-6-imidazol-1-ylpyridazine-3-carboxamide;methyl 3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5,6,7,8-tetrahydronaphthalene-2-carboxylate
CID 157212075
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5-methyl-3-(trifluoromethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one
CID 157736922
N-cyclopropyl-1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-3-propan-2-ylpyrazole-5-carboxamide;2-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-N-[(1S)-2-(3,5-difluorophenyl)-1-[5-(4-methylphenyl)pyrimidin-4-yl]ethyl]acetamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 158488568
5-Ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylic acid
CID 158803356
potassium;ethanol;bis(3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide);methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;2-methyloxolane;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline;2-methylpropan-2-olate;dihydrochloride
CID 159493109
(4R)-1-[3-(difluoromethyl)-4,4,7,7-tetrafluoro-5,6-dihydroindazol-1-yl]-5-(3,5-difluorophenyl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-N,4-dimethylbenzimidazole-2-carboxamide;1-[2-[[(1S)-2-(3,5-difluorophenyl)-1-[3-[4-fluoro-3-(methylcarbamoyl)phenyl]-2-pyridinyl]ethyl]amino]-2-oxoethyl]-5-propan-2-ylpyrazole-3-carboxylic acid;5-[2-[(1S)-2-(3,5-difluorophenyl)-1-[[2-(6-methylpyrrolo[3,2-c]pyridin-1-yl)acetyl]amino]ethyl]-3-pyridinyl]-2-fluoro-N-methylbenzamide
CID 160040955
5-Ethyl-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]benzoic acid;5-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;4-fluoro-2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-5-(trifluoromethyl)benzoic acid;2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4-methylbenzoic acid;3-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(6-imidazol-1-ylpyridazine-3-carbonyl)amino]-4,4-dimethylcyclopentene-1-carboxylate
CID 160222628
4-fluoro-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide;3-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;3-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid;3-[2-[2-methyl-5-[[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]carbamoyl]phenyl]ethynyl]-[1,2,4]triazolo[4,3-b]pyridazine-7-carboxylic acid;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-a]pyridin-3-yl)ethynyl]benzamide;4-methyl-N-[4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)phenyl]-3-[2-([1,2,4]triazolo[4,3-b]pyridazin-3-yl)ethynyl]benzamide
CID 161163704
(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-1-[5,6-dimethyl-2-(trifluoromethyl)benzimidazol-1-yl]pentan-2-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)-5,7-dihydro-4H-indazol-6-one;1-[(4R)-4-[3-(3-acetyl-4-fluorophenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(4R)-4-[3-(3-acetylphenyl)-2-pyridinyl]-5-(3,5-difluorophenyl)-2-oxopentyl]-4-methylquinolin-2-one;(4R)-5-(3,5-difluorophenyl)-1-(5,6-dimethylbenzimidazol-1-yl)-4-[5-(4-methylphenyl)pyrimidin-4-yl]pentan-2-one
CID 161291784
potassium;ethanol;bis(3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methyl-N-[3-methyl-4-[(4-methylpiperazin-1-yl)methyl]phenyl]benzamide);methyl 3-(2-imidazo[1,2-b]pyridazin-3-ylethynyl)-4-methylbenzoate;4-[(4-methylpiperazin-1-yl)methyl]-3-(trifluoromethyl)aniline;2-methylpropan-2-olate;dihydrochloride
CID 161618583
N,N-dimethyl-3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxamide;(5-fluoro-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;[4-hydroxy-4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]-(1-methylindazol-3-yl)methanone;1H-indazol-3-yl-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(1-methylindazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(6-methyl-1H-indazol-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;(7-prop-1-en-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-3-yl)-[4-[2-(trifluoromethyl)phenyl]piperidin-1-yl]methanone;3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;1-[3-[4-[2-(trifluoromethyl)phenyl]piperidine-1-carbonyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]propan-1-one
CID 162081497

Frequently Asked Questions

What is the IUPAC name of 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate?
The IUPAC name of 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate (CID 167708288) is 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate.
What is the SMILES notation for 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate?
The canonical SMILES for 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate is C#Cc1cc(NC(=O)c2cc(N)n3ccnc3n2)c(C(=O)O)cc1F.C=C(F)c1ccc(C(=O)OC)c(NC(=O)c2cc(N)n3ncnc3n2)c1.Nc1cc(C(=O)Nc2cc(C3CC3)ccc2C(=O)O)nn2nnnc12.Nc1cc(C(=O)Nc2cc3ccccc3cc2C(=O)O)nn2nnnc12.
What is the InChIKey of 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate?
The InChIKey is ZLCCGIYWNHZSDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN6O3.C16H10FN5O3.C16H11N7O3.C15H13N7O3/c1-8(17)9-3-4-10(15(25)26-2)11(5-9)21-14(24)12-6-13(18)23-16(22-12)19-7-20-23;1-2-8-5-11(9(15(24)25)6-10(8)17)20-14(23)12-7-13(18)22-4-3-19-16(22)21-12;17-11-7-13(20-23-14(11)19-21-22-23)15(24)18-12-6-9-4-2-1-3-8(9)5-10(12)16(25)26;16-10-6-12(19-22-13(10)18-20-21-22)14(23)17-11-5-8(7-1-2-7)3-4-9(11)15(24)25/h3-7H,1,18H2,2H3,(H,21,24);1,3-7H,18H2,(H,20,23)(H,24,25);1-7H,17H2,(H,18,24)(H,25,26);3-7H,1-2,16H2,(H,17,23)(H,24,25).
What are the key properties of 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate?
2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate has a molecular weight of 1384.23 g/mol, XLogP of 5.20, 14 rotatable bonds, 11 hydrogen bond donors, and 30 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(5-aminoimidazo[1,2-a]pyrimidine-7-carbonyl)amino]-4-ethynyl-5-fluorobenzoic acid;2-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]-4-cyclopropylbenzoic acid;3-[(8-aminotetrazolo[1,5-b]pyridazine-6-carbonyl)amino]naphthalene-2-carboxylic acid;methyl 2-[(7-amino-[1,2,4]triazolo[1,5-a]pyrimidine-5-carbonyl)amino]-4-(1-fluoroethenyl)benzoate is sourced from PubChem (CID 167708288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).