N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide

C125H134F7N37O14 — CID 157457847

IUPACN-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
SMILESCNc1cc(Nc2c(F)c(F)cc(F)c2F)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CC3CC3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)C[C@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)C[C@H]3C[C@H]3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cccc3cccnc23)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12
InChIInChI=1S/C22H23N7O.3C21H23FN6O3.C21H24N6O3.C19H18F4N6O/c1-13-9-15(13)10-20(30)27-17-12-25-29-19(23-2)11-18(28-22(17)29)26-16-7-3-5-14-6-4-8-24-21(14)16;3*1-11-5-12(11)6-19(29)26-15-10-24-28-18(23-2)9-17(27-21(15)28)25-14-7-13(22)8-16-20(14)31-4-3-30-16;1-12-8-13(12)9-19(28)25-15-11-23-27-18(22-2)10-17(26-21(15)27)24-14-4-3-5-16-20(14)30-7-6-29-16;1-8-3-9(8)4-15(30)26-12-7-25-29-14(24-2)6-13(28-19(12)29)27-18-16(22)10(20)5-11(21)17(18)23/h3-8,11-13,15,23H,9-10H2,1-2H3,(H,26,28)(H,27,30);3*7-12,23H,3-6H2,1-2H3,(H,25,27)(H,26,29);3-5,10-13,22H,6-9H2,1-2H3,(H,24,26)(H,25,28);5-9,24H,3-4H2,1-2H3,(H,26,30)(H,27,28)/t13-,15-;11-,12+;11-,12-;;12-,13-;8-,9-/m001.00/s1
InChIKeyBTONRPPFTUUAEB-JAFJZUFBSA-N
MW2511.68 g/mol
LogP21.60
Rot. Bonds36

About N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide

N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide (PubChem CID 157457847) has the molecular formula C125H134F7N37O14 and a molecular weight of 2511.68 g/mol. Its IUPAC name is N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide.

Molecular Properties

Compound NameN-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
PubChem CID157457847
Molecular FormulaC125H134F7N37O14
Molecular Weight2511.68 g/mol
Exact Mass2510.08
IUPAC NameN-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide
SMILESCNc1cc(Nc2c(F)c(F)cc(F)c2F)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CC3CC3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)C[C@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)C[C@H]3C[C@H]3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cccc3cccnc23)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12
InChIInChI=1S/C22H23N7O.3C21H23FN6O3.C21H24N6O3.C19H18F4N6O/c1-13-9-15(13)10-20(30)27-17-12-25-29-19(23-2)11-18(28-22(17)29)26-16-7-3-5-14-6-4-8-24-21(14)16;3*1-11-5-12(11)6-19(29)26-15-10-24-28-18(23-2)9-17(27-21(15)28)25-14-7-13(22)8-16-20(14)31-4-3-30-16;1-12-8-13(12)9-19(28)25-15-11-23-27-18(22-2)10-17(26-21(15)27)24-14-4-3-5-16-20(14)30-7-6-29-16;1-8-3-9(8)4-15(30)26-12-7-25-29-14(24-2)6-13(28-19(12)29)27-18-16(22)10(20)5-11(21)17(18)23/h3-8,11-13,15,23H,9-10H2,1-2H3,(H,26,28)(H,27,30);3*7-12,23H,3-6H2,1-2H3,(H,25,27)(H,26,29);3-5,10-13,22H,6-9H2,1-2H3,(H,24,26)(H,25,28);5-9,24H,3-4H2,1-2H3,(H,26,30)(H,27,28)/t13-,15-;11-,12+;11-,12-;;12-,13-;8-,9-/m001.00/s1
InChIKeyBTONRPPFTUUAEB-JAFJZUFBSA-N
XLogP21.60
TPSA586.83 Ų
H-Bond Donors18
H-Bond Acceptors45
Rotatable Bonds36
Heavy Atoms183
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002511.68
LogP ≤ 521.60
H-Bond Donors ≤ 518
H-Bond Acceptors ≤ 1045

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide with MolForge

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Related Compounds

N-[5-(3,4-dihydro-2H-1,5-benzodioxepin-6-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-3-(propanoylamino)pyrazolo[1,5-a]pyrimidin-5-yl]benzamide;N-[7-(methylamino)-5-(quinoxalin-5-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(5,6,7,8-tetrahydronaphthalen-1-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[2-(trifluoromethoxy)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
CID 157184933
(1S,5R)-N-[1-(2-ethylphenoxy)-2-methylpropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-(3-methylpyrazin-2-yl)oxypropan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 158599699
N-[5-[(2,2-difluoro-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(2,2-dimethyl-1,3-benzodioxol-4-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]butanamide
CID 159076309
(1R,5S)-N-[2-methyl-4-(3-methylpyrazin-2-yl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[(4-methyl-3-pyridinyl)oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(2-methylquinolin-4-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 159317384
N-[2-[4-(cyclopropylmethyl)piperazin-1-yl]-4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]phenyl]prop-2-enamide;N-[4-(difluoromethoxy)-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-(4-pyrrolidin-1-ylpiperidin-1-yl)phenyl]prop-2-enamide;N-[2-[2-(dimethylamino)ethyl-methylamino]-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-4-(trifluoromethoxy)phenyl]prop-2-enamide;N-[4-methoxy-5-[[6-(1-methylindazol-5-yl)pyrimidin-4-yl]amino]-2-[4-(oxan-4-yl)piperazin-1-yl]phenyl]prop-2-enamide
CID 160240221
(1R,5S)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[5,4-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 160302057
(1S,5R)-N-[2-(3,4-dihydro-2H-chromen-2-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-(3-methyl-2-pyridinyl)butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1R,5S)-N-[2-(1-methylpyrazolo[4,3-b]pyridin-3-yl)propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-4-[3-(trifluoromethyl)-2-pyridinyl]butan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-methyl-1-[[3-(trifluoromethyl)-4-pyridinyl]oxy]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-(2-quinolin-2-ylpropan-2-yl)-3-azabicyclo[3.1.0]hexane-6-carboxamide;(1S,5R)-N-[2-[1-(trifluoromethyl)imidazo[1,5-a]pyridin-3-yl]propan-2-yl]-3-azabicyclo[3.1.0]hexane-6-carboxamide
CID 161708802
N-[5-[(7-chloro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-(1-methylpyrrolo[2,3-b]pyridin-3-yl)pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[1-(oxolan-3-yl)pyrrolo[2,3-b]pyridin-3-yl]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide;N-[7-(methylamino)-5-[[7-(trifluoromethyl)-2,3-dihydro-1,4-benzodioxin-5-yl]amino]pyrazolo[1,5-a]pyrimidin-3-yl]propanamide
CID 161759002
7-(2,2-difluoroethoxy)-N-[[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-(3,3-difluoropyrrolidin-1-yl)ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-(1,4-dioxan-2-ylmethoxy)-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[2-[(3R)-3-fluoropyrrolidin-1-yl]ethoxy]-1,5-naphthyridin-4-amine;N-[[6-(3,5-difluorophenyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-7-[(2-methyl-1,2,4-triazol-3-yl)methoxy]-1,5-naphthyridin-4-amine;methane
CID 161951266
(3E)-3-[[5-(1,3-benzodioxol-5-ylamino)-7-(cyclopropylamino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(3,4-difluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(N-methylanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-(4-propan-2-yloxyanilino)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione;(3E)-3-[[7-(cyclopropylamino)-5-[2-(trifluoromethyl)anilino]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]pyrrolidine-2,5-dione
CID 161954538
4-tert-butyl-N-(2,3-dihydro-1,4-benzodioxin-5-yl)-5-methylpyrimidin-2-amine;4-tert-butyl-5-methyl-N-(2-methylpyrazol-3-yl)pyrimidin-2-amine;4-tert-butyl-5-methyl-N-(6-propan-2-yloxy-3-pyridinyl)pyrimidin-2-amine;4-tert-butyl-N-(2-methylpyrazol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-3-amine;N-(4-tert-butyl-5-methylpyrimidin-2-yl)-1-methylindazol-4-amine
CID 162076865
5-[[C-(2-aminoethenyl)-N-(2,2,2-trifluoroethyl)carbonimidoyl]amino]-N-cyclopropyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;N-cyclopropyl-5-[[2-(2-hydroxyethyl)pyrazol-3-yl]amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)-N-(2-methylcyclopropyl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-difluoro-2-methoxyanilino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-(3,5-difluoro-2-methoxyanilino)-N-methyl-7-(methylamino)pyrazolo[1,5-a]pyrimidine-3-carboxamide;5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)-N-(oxolan-3-yl)pyrazolo[1,5-a]pyrimidine-3-carboxamide;1-[5-(3,5-dimethylanilino)-7-(ethylamino)pyrazolo[1,5-a]pyrimidin-3-yl]ethanone
CID 165032658

Frequently Asked Questions

What is the IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
The IUPAC name of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide (CID 157457847) is N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide.
What is the SMILES notation for N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
The canonical SMILES for N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide is CNc1cc(Nc2c(F)c(F)cc(F)c2F)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)CC3CC3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)C[C@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cc(F)cc3c2OCCO3)nc2c(NC(=O)C[C@H]3C[C@H]3C)cnn12.CNc1cc(Nc2cccc3c2OCCO3)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.CNc1cc(Nc2cccc3cccnc23)nc2c(NC(=O)C[C@@H]3C[C@@H]3C)cnn12.
What is the InChIKey of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
The InChIKey is BTONRPPFTUUAEB-JAFJZUFBSA-N. The full InChI is InChI=1S/C22H23N7O.3C21H23FN6O3.C21H24N6O3.C19H18F4N6O/c1-13-9-15(13)10-20(30)27-17-12-25-29-19(23-2)11-18(28-22(17)29)26-16-7-3-5-14-6-4-8-24-21(14)16;3*1-11-5-12(11)6-19(29)26-15-10-24-28-18(23-2)9-17(27-21(15)28)25-14-7-13(22)8-16-20(14)31-4-3-30-16;1-12-8-13(12)9-19(28)25-15-11-23-27-18(22-2)10-17(26-21(15)27)24-14-4-3-5-16-20(14)30-7-6-29-16;1-8-3-9(8)4-15(30)26-12-7-25-29-14(24-2)6-13(28-19(12)29)27-18-16(22)10(20)5-11(21)17(18)23/h3-8,11-13,15,23H,9-10H2,1-2H3,(H,26,28)(H,27,30);3*7-12,23H,3-6H2,1-2H3,(H,25,27)(H,26,29);3-5,10-13,22H,6-9H2,1-2H3,(H,24,26)(H,25,28);5-9,24H,3-4H2,1-2H3,(H,26,30)(H,27,28)/t13-,15-;11-,12+;11-,12-;;12-,13-;8-,9-/m001.00/s1.
What are the key properties of N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide?
N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide has a molecular weight of 2511.68 g/mol, XLogP of 21.60, 36 rotatable bonds, 18 hydrogen bond donors, and 45 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-(2,3-dihydro-1,4-benzodioxin-5-ylamino)-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2R)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1R,2S)-2-methylcyclopropyl]acetamide;N-[5-[(7-fluoro-2,3-dihydro-1,4-benzodioxin-5-yl)amino]-7-(methylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-(2-methylcyclopropyl)acetamide;N-[7-(methylamino)-5-(quinolin-8-ylamino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide;N-[7-(methylamino)-5-(2,3,5,6-tetrafluoroanilino)pyrazolo[1,5-a]pyrimidin-3-yl]-2-[(1S,2S)-2-methylcyclopropyl]acetamide is sourced from PubChem (CID 157457847), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).