ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)

C136H186N26O — CID 164962249

IUPACethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)
SMILESC1=NCC2=C1CC(Nc1cc(-c3cccnc3)nc3ccnn13)CC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1C=CC2=C(CCC(Nc3cc(-c4cccnc4)nc4ccnn34)C2)C1.c1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1.c1cncc(-c2cc(NC3CCc4ccccc4C3)n3nccc3n2)c1.c1cncc(-c2cc(NC3CCc4ccccc4C3)n3nccc3n2)c1
InChIInChI=1S/C24H21N5.C21H19N5O.2C21H19N5.C19H18N6.15C2H6/c1-2-6-20-16(4-1)12-17-7-8-19(13-21(17)20)27-24-14-22(18-5-3-10-25-15-18)28-23-9-11-26-29(23)24;27-18-6-4-14-10-17(5-3-15(14)11-18)24-21-12-19(16-2-1-8-22-13-16)25-20-7-9-23-26(20)21;2*1-2-5-16-12-18(8-7-15(16)4-1)24-21-13-19(17-6-3-10-22-14-17)25-20-9-11-23-26(20)21;1-2-14(11-20-6-1)17-9-19(25-18(24-17)5-7-22-25)23-16-4-3-13-10-21-12-15(13)8-16;15*1-2/h1-6,9-11,14-15,19,27H,7-8,12-13H2;1-2,4,6-9,12-13,17,24H,3,5,10-11H2;2*1-6,9-11,13-14,18,24H,7-8,12H2;1-2,5-7,9,11-12,16,23H,3-4,8,10H2;15*1-2H3
InChIKeyBZPNHICNRDBIJU-UHFFFAOYSA-N
MW2201.16 g/mol
LogP34.40
Rot. Bonds15

About ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)

ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine) (PubChem CID 164962249) has the molecular formula C136H186N26O and a molecular weight of 2201.16 g/mol. Its IUPAC name is ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine).

Molecular Properties

Compound Nameethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)
PubChem CID164962249
Molecular FormulaC136H186N26O
Molecular Weight2201.16 g/mol
Exact Mass2199.53
IUPAC Nameethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)
SMILESC1=NCC2=C1CC(Nc1cc(-c3cccnc3)nc3ccnn13)CC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1C=CC2=C(CCC(Nc3cc(-c4cccnc4)nc4ccnn34)C2)C1.c1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1.c1cncc(-c2cc(NC3CCc4ccccc4C3)n3nccc3n2)c1.c1cncc(-c2cc(NC3CCc4ccccc4C3)n3nccc3n2)c1
InChIInChI=1S/C24H21N5.C21H19N5O.2C21H19N5.C19H18N6.15C2H6/c1-2-6-20-16(4-1)12-17-7-8-19(13-21(17)20)27-24-14-22(18-5-3-10-25-15-18)28-23-9-11-26-29(23)24;27-18-6-4-14-10-17(5-3-15(14)11-18)24-21-12-19(16-2-1-8-22-13-16)25-20-7-9-23-26(20)21;2*1-2-5-16-12-18(8-7-15(16)4-1)24-21-13-19(17-6-3-10-22-14-17)25-20-9-11-23-26(20)21;1-2-14(11-20-6-1)17-9-19(25-18(24-17)5-7-22-25)23-16-4-3-13-10-21-12-15(13)8-16;15*1-2/h1-6,9-11,14-15,19,27H,7-8,12-13H2;1-2,4,6-9,12-13,17,24H,3,5,10-11H2;2*1-6,9-11,13-14,18,24H,7-8,12H2;1-2,5-7,9,11-12,16,23H,3-4,8,10H2;15*1-2H3
InChIKeyBZPNHICNRDBIJU-UHFFFAOYSA-N
XLogP34.40
TPSA304.98 Ų
H-Bond Donors5
H-Bond Acceptors27
Rotatable Bonds15
Heavy Atoms163
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5002201.16
LogP ≤ 534.40
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1027

Analyze ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine) with MolForge

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Related Compounds

N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-piperazin-1-ylethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157192480
N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 157817601
(3E)-3-[[7-(cyclopropylamino)-5-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-pyridin-4-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 157841938
N-cyclobutyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclohexylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;1-[4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 158271343
1-[2-amino-5-[2-(2,5-difluorophenyl)-4,4-difluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;bis(1-[2-amino-5-[(2R,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone);1-[2-amino-5-[(2S,4S)-2-(2,5-difluorophenyl)-4-fluoropyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]ethanone;5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]-2-methyl-3-(1-methylpyrazol-4-yl)pyrazolo[1,5-a]pyrimidine
CID 158423334
N,N-dimethyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-[(1-methylpiperidin-4-yl)methyl]-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-methyl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(piperidin-4-ylmethyl)-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-piperidin-4-yl-4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 158509793
N-cyclobutyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-cyclohexyl-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(cyclopropylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;N-(2-methyl-4-pyridinyl)-5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(piperidin-4-ylmethyl)-4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide;4-[[5-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzamide
CID 159080097
6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-2-iodo-1,2-dihydroquinoline;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1H-naphthalen-2-one;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]-1-oxidoquinolin-1-ium;6-[difluoro-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]methyl]quinoline;methane
CID 159200693
(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-(4-pyrazolo[1,5-a]pyrimidin-5-ylphenyl)butanamide;(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-(3,3-difluoropyrrolidin-1-yl)-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-7-yl)phenyl]butanamide;(2S,3S)-3-amino-N,N-dimethyl-4-oxo-4-pyrrolidin-1-yl-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-[(3S)-3-fluoro-3-methylpyrrolidin-1-yl]-N-methyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide;(2S,3S)-3-amino-4-[(3S)-3-fluoropyrrolidin-1-yl]-N,N-dimethyl-4-oxo-2-[4-([1,2,4]triazolo[1,5-a]pyridin-6-yl)phenyl]butanamide
CID 159279661
(3E)-3-[[7-(cyclopropylamino)-5-[6-(dimethylamino)-3-pyridinyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(3-fluorophenyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(3E)-3-[[7-(cyclopropylamino)-5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one;(4E)-4-[[7-(cyclopropylamino)-5-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-3-yl]methylidene]-5-methylidenepyrrolidin-2-one
CID 159330132
N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[(2R)-2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
CID 159511483
N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2,5-difluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-5-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-2-fluoro-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-3-methyl-4-(4-methylpiperazin-1-yl)benzamide;N-[5-[2-(2,5-difluorophenyl)pyrrolidin-1-yl]pyrazolo[1,5-a]pyrimidin-3-yl]-4-(4-methylpiperazin-1-yl)-2-(trifluoromethyl)benzamide
CID 159511486

Frequently Asked Questions

What is the IUPAC name of ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?
The IUPAC name of ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine) (CID 164962249) is ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine).
What is the SMILES notation for ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?
The canonical SMILES for ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine) is C1=NCC2=C1CC(Nc1cc(-c3cccnc3)nc3ccnn13)CC2.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.CC.O=C1C=CC2=C(CCC(Nc3cc(-c4cccnc4)nc4ccnn34)C2)C1.c1cncc(-c2cc(NC3CCC4=C(C3)c3ccccc3C4)n3nccc3n2)c1.c1cncc(-c2cc(NC3CCc4ccccc4C3)n3nccc3n2)c1.c1cncc(-c2cc(NC3CCc4ccccc4C3)n3nccc3n2)c1.
What is the InChIKey of ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?
The InChIKey is BZPNHICNRDBIJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5.C21H19N5O.2C21H19N5.C19H18N6.15C2H6/c1-2-6-20-16(4-1)12-17-7-8-19(13-21(17)20)27-24-14-22(18-5-3-10-25-15-18)28-23-9-11-26-29(23)24;27-18-6-4-14-10-17(5-3-15(14)11-18)24-21-12-19(16-2-1-8-22-13-16)25-20-7-9-23-26(20)21;2*1-2-5-16-12-18(8-7-15(16)4-1)24-21-13-19(17-6-3-10-22-14-17)25-20-9-11-23-26(20)21;1-2-14(11-20-6-1)17-9-19(25-18(24-17)5-7-22-25)23-16-4-3-13-10-21-12-15(13)8-16;15*1-2/h1-6,9-11,14-15,19,27H,7-8,12-13H2;1-2,4,6-9,12-13,17,24H,3,5,10-11H2;2*1-6,9-11,13-14,18,24H,7-8,12H2;1-2,5-7,9,11-12,16,23H,3-4,8,10H2;15*1-2H3.
What are the key properties of ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine)?
ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine) has a molecular weight of 2201.16 g/mol, XLogP of 34.40, 15 rotatable bonds, 5 hydrogen bond donors, and 27 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;6-[(5-pyridin-3-ylpyrazolo[1,5-a]pyrimidin-7-yl)amino]-5,6,7,8-tetrahydro-1H-naphthalen-2-one;5-pyridin-3-yl-N-(2,3,4,9-tetrahydro-1H-fluoren-3-yl)pyrazolo[1,5-a]pyrimidin-7-amine;5-pyridin-3-yl-N-(4,5,6,7-tetrahydro-1H-isoindol-5-yl)pyrazolo[1,5-a]pyrimidin-7-amine;bis(5-pyridin-3-yl-N-(1,2,3,4-tetrahydronaphthalen-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine) is sourced from PubChem (CID 164962249), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).