3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid

C128H128ClF5N28O20 — CID 160830747

IUPAC3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
SMILESCC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1ccn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(F)cc4)c3=O)nc12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)ccn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)O)ccn12.CNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)ccn12.Nc1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C28H29FN6O4.C27H28FN5O5.C25H24FN5O5.C23H21FN6O2.C14H17ClN4O3.C11H9FN2O/c1-28(2,3)39-27(38)33(4)23-16-22(32-24-20(13-15-35(23)24)25(36)30-18-9-10-18)31-21-6-5-14-34(26(21)37)19-11-7-17(29)8-12-19;1-6-37-25(35)19-13-15-33-22(31(5)26(36)38-27(2,3)4)16-21(30-23(19)33)29-20-8-7-14-32(24(20)34)18-11-9-17(28)10-12-18;1-25(2,3)36-24(35)29(4)20-14-19(28-21-17(23(33)34)11-13-31(20)21)27-18-6-5-12-30(22(18)32)16-9-7-15(26)8-10-16;1-25-20-13-19(28-21-17(10-12-30(20)21)22(31)26-15-6-7-15)27-18-3-2-11-29(23(18)32)16-8-4-14(24)5-9-16;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;12-8-3-5-9(6-4-8)14-7-1-2-10(13)11(14)15/h5-8,11-16,18H,9-10H2,1-4H3,(H,30,36)(H,31,32);7-16H,6H2,1-5H3,(H,29,30);5-14H,1-4H3,(H,27,28)(H,33,34);2-5,8-13,15,25H,6-7H2,1H3,(H,26,31)(H,27,28);6-7H,1-5H3;1-7H,13H2
InChIKeySGTOKIDHQRKTBQ-UHFFFAOYSA-N
MW2509.05 g/mol
LogP21.80
Rot. Bonds26

About 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid

3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (PubChem CID 160830747) has the molecular formula C128H128ClF5N28O20 and a molecular weight of 2509.05 g/mol. Its IUPAC name is 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid.

Molecular Properties

Compound Name3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
PubChem CID160830747
Molecular FormulaC128H128ClF5N28O20
Molecular Weight2509.05 g/mol
Exact Mass2506.95
IUPAC Name3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid
SMILESCC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1ccn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(F)cc4)c3=O)nc12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)ccn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)O)ccn12.CNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)ccn12.Nc1cccn(-c2ccc(F)cc2)c1=O
InChIInChI=1S/C28H29FN6O4.C27H28FN5O5.C25H24FN5O5.C23H21FN6O2.C14H17ClN4O3.C11H9FN2O/c1-28(2,3)39-27(38)33(4)23-16-22(32-24-20(13-15-35(23)24)25(36)30-18-9-10-18)31-21-6-5-14-34(26(21)37)19-11-7-17(29)8-12-19;1-6-37-25(35)19-13-15-33-22(31(5)26(36)38-27(2,3)4)16-21(30-23(19)33)29-20-8-7-14-32(24(20)34)18-11-9-17(28)10-12-18;1-25(2,3)36-24(35)29(4)20-14-19(28-21-17(23(33)34)11-13-31(20)21)27-18-6-5-12-30(22(18)32)16-9-7-15(26)8-10-16;1-25-20-13-19(28-21-17(10-12-30(20)21)22(31)26-15-6-7-15)27-18-3-2-11-29(23(18)32)16-8-4-14(24)5-9-16;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;12-8-3-5-9(6-4-8)14-7-1-2-10(13)11(14)15/h5-8,11-16,18H,9-10H2,1-4H3,(H,30,36)(H,31,32);7-16H,6H2,1-5H3,(H,29,30);5-14H,1-4H3,(H,27,28)(H,33,34);2-5,8-13,15,25H,6-7H2,1H3,(H,26,31)(H,27,28);6-7H,1-5H3;1-7H,13H2
InChIKeySGTOKIDHQRKTBQ-UHFFFAOYSA-N
XLogP21.80
TPSA552.59 Ų
H-Bond Donors9
H-Bond Acceptors41
Rotatable Bonds26
Heavy Atoms182
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002509.05
LogP ≤ 521.80
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1041

Computed Properties (RDKit)

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

Analyze 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid with MolForge

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Related Compounds

7-amino-N-cyclopropyl-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;cyclopropanamine;N-cyclopropyl-7-(dibenzylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-(dibenzylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;ethyl 5-chloro-7-(dibenzylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-(dibenzylamino)-5-[[2-(trifluoromethoxy)-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-(trifluoromethoxy)pyridin-3-amine
CID 167619063
lithium;1-benzyl-4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylic acid;(111C)ethane;ethyl 1-benzyl-5-[(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)carbamoyl]pyrazole-4-carboxylate;4-N-(2-fluoroethyl)-4-N-methyl-1-(111C)methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)pyrazole-4,5-dicarboxamide;4-N-(2-fluoroethyl)-4-N-methyl-5-N-(2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-yl)-1H-pyrazole-4,5-dicarboxamide;2-fluoro-N-methylethanamine;methane;2-phenyl-[1,2,4]triazolo[1,5-a]pyridin-7-amine;hydroxide;hydrate;hydrochloride
CID 157169413
tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-cyclopropylcarbamate;tert-butyl N-cyclopropyl-N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]carbamate;1-[5-chloro-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;cyclopropanamine;N-cyclopropyl-7-(cyclopropylamino)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxamide;7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;1-(5,7-dichloropyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 7-[cyclopropyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxypyridin-3-amine
CID 157178721
CID 157235957
CID 157235957
7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;tert-butyl 3-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine-1-carboxylate;cyclopropanamine;ethyl 7-[benzyl(methyl)amino]-5-chloropyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1-cyclopropylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-[1-[(2-methylpropan-2-yl)oxycarbonyl]pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[benzyl(methyl)amino]-5-(1H-pyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxylate
CID 157408665
CID 157748523
CID 157748523
CID 157794182
CID 157794182
N,N-dimethyl-3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxamide;1,1-dimethyl-3-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-7-yl)urea;2-(methylamino)-1-(3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridin-6-yl)ethanone;7-methyl-3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine;6-methyl-3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidine;1-(3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazin-7-yl)ethanone;3-propan-2-yl-6,8-dihydro-5H-[1,2,4]triazolo[3,4-c][1,4]oxazine;3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c][1,3]oxazine;1-(3-propan-2-yl-7,8-dihydro-5H-[1,2,4]triazolo[4,3-c]pyrimidin-6-yl)ethanone;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyrazine;3-propan-2-yl-5,6,7,8-tetrahydro-[1,2,4]triazolo[4,3-a]pyridine;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-6-carboxylic acid;3-propan-2-yl-[1,2,4]triazolo[4,3-a]pyridine-7-carboxylic acid
CID 157968735
tert-butyl N-[5-chloro-3-(cyclopropylcarbamoyl)pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;tert-butyl N-[3-(cyclopropylcarbamoyl)-5-[(2-methoxy-3-pyridinyl)amino]pyrazolo[1,5-a]pyrimidin-7-yl]-N-(2-morpholin-4-ylethyl)carbamate;5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;cyclopropanamine;N-cyclopropyl-5-[(2-methoxy-3-pyridinyl)amino]-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-(5,7-dichloropyrazolo[1,5-a]pyrimidin-3-yl)ethanone;ethyl 5-chloro-7-[(2-methylpropan-2-yl)oxycarbonyl-(2-morpholin-4-ylethyl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-(2-morpholin-4-ylethylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylate;2-methoxypyridin-3-amine;2-morpholin-4-ylethanamine
CID 158069860
5-amino-1-benzyl-3-methylpyridin-2-one;4-bromo-1-methylpyrazole;ethyl 5-[(1-benzyl-5-methyl-6-oxo-3-pyridinyl)amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[(5-methyl-6-oxo-1H-pyridin-3-yl)amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]-5-[[5-methyl-1-(1-methylpyrazol-4-yl)-6-oxo-3-pyridinyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 158116620
3-Amino-1-(3-fluoro-2-pyridinyl)pyridin-2-one;ethyl 5-chloro-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;ethyl 5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylate;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxylic acid;5-[[1-(3-fluoro-2-pyridinyl)-2-oxo-3-pyridinyl]amino]-7-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrazolo[1,5-a]pyrimidine-3-carboxylic acid
CID 158217667
tert-butyl (3S)-3-[[4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazin-6-yl]carbamoyloxymethyl]morpholine-4-carboxylate;tert-butyl (3R)-3-(hydroxymethyl)morpholine-4-carboxylate;ethyl 4-chloro-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;ethyl 5-methyl-4-oxo-3H-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylate;1-[(3-fluorophenyl)methyl]indazol-5-amine;4-[[1-[(3-fluorophenyl)methyl]indazol-5-yl]amino]-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid
CID 158330402

Frequently Asked Questions

What is the IUPAC name of 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
The IUPAC name of 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid (CID 160830747) is 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid.
What is the SMILES notation for 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
The canonical SMILES for 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid is CC(=O)c1cnn2c(N(C)C(=O)OC(C)(C)C)cc(Cl)nc12.CCOC(=O)c1ccn2c(N(C)C(=O)OC(C)(C)C)cc(Nc3cccn(-c4ccc(F)cc4)c3=O)nc12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)ccn12.CN(C(=O)OC(C)(C)C)c1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)O)ccn12.CNc1cc(Nc2cccn(-c3ccc(F)cc3)c2=O)nc2c(C(=O)NC3CC3)ccn12.Nc1cccn(-c2ccc(F)cc2)c1=O.
What is the InChIKey of 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
The InChIKey is SGTOKIDHQRKTBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29FN6O4.C27H28FN5O5.C25H24FN5O5.C23H21FN6O2.C14H17ClN4O3.C11H9FN2O/c1-28(2,3)39-27(38)33(4)23-16-22(32-24-20(13-15-35(23)24)25(36)30-18-9-10-18)31-21-6-5-14-34(26(21)37)19-11-7-17(29)8-12-19;1-6-37-25(35)19-13-15-33-22(31(5)26(36)38-27(2,3)4)16-21(30-23(19)33)29-20-8-7-14-32(24(20)34)18-11-9-17(28)10-12-18;1-25(2,3)36-24(35)29(4)20-14-19(28-21-17(23(33)34)11-13-31(20)21)27-18-6-5-12-30(22(18)32)16-9-7-15(26)8-10-16;1-25-20-13-19(28-21-17(10-12-30(20)21)22(31)26-15-6-7-15)27-18-3-2-11-29(23(18)32)16-8-4-14(24)5-9-16;1-8(20)9-7-16-19-11(6-10(15)17-12(9)19)18(5)13(21)22-14(2,3)4;12-8-3-5-9(6-4-8)14-7-1-2-10(13)11(14)15/h5-8,11-16,18H,9-10H2,1-4H3,(H,30,36)(H,31,32);7-16H,6H2,1-5H3,(H,29,30);5-14H,1-4H3,(H,27,28)(H,33,34);2-5,8-13,15,25H,6-7H2,1H3,(H,26,31)(H,27,28);6-7H,1-5H3;1-7H,13H2.
What are the key properties of 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid?
3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid has a molecular weight of 2509.05 g/mol, XLogP of 21.80, 26 rotatable bonds, 9 hydrogen bond donors, and 41 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-1-(4-fluorophenyl)pyridin-2-one;tert-butyl N-(3-acetyl-5-chloropyrazolo[1,5-a]pyrimidin-7-yl)-N-methylcarbamate;tert-butyl N-[8-(cyclopropylcarbamoyl)-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]pyrrolo[1,2-a]pyrimidin-4-yl]-N-methylcarbamate;N-cyclopropyl-2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-(methylamino)pyrrolo[1,2-a]pyrimidine-8-carboxamide;ethyl 2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylate;2-[[1-(4-fluorophenyl)-2-oxo-3-pyridinyl]amino]-4-[methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]pyrrolo[1,2-a]pyrimidine-8-carboxylic acid is sourced from PubChem (CID 160830747), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).