2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

C112H140N46O2S — CID 157051441

IUPAC2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.COC/C=C/c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.Cn1cc(-c2c(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn3c2N)cn1.Cn1cc(-c2cnn3c(N)c(-c4cccs4)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(-c4cnn(CCO)c4)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H25N9O.C19H23N9.C19H25N7O.C19H21N7S.C18H23N7.C17H23N7/c1-27-11-14(8-23-27)16-10-25-29-19(21)17(15-9-24-28(12-15)5-6-30)18(26-20(16)29)13-3-2-4-22-7-13;1-26-10-13(7-22-26)15-9-24-28-18(20)16(14-8-23-27(2)11-14)17(25-19(15)28)12-4-3-5-21-6-12;1-25-12-14(10-22-25)16-11-23-26-18(20)15(6-4-8-27-2)17(24-19(16)26)13-5-3-7-21-9-13;1-25-11-13(9-22-25)14-10-23-26-18(20)16(15-5-3-7-27-15)17(24-19(14)26)12-4-2-6-21-8-12;1-11(2)15-16(12-5-4-6-20-7-12)23-18-14(9-22-25(18)17(15)19)13-8-21-24(3)10-13;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12/h8-13,22,30H,2-7,21H2,1H3;7-12,21H,3-6,20H2,1-2H3;4,6,10-13,21H,3,5,7-9,20H2,1-2H3;3,5,7,9-12,21H,2,4,6,8,20H2,1H3;8-10,12,20H,1,4-7,19H2,2-3H3;8-11,19H,3-7,18H2,1-2H3/b;;6-4+;;;
InChIKeyAAGHAGPZBVLKGQ-JYWYIHAMSA-N
MW2194.74 g/mol
LogP11.31
Rot. Bonds22

About 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine

2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (PubChem CID 157051441) has the molecular formula C112H140N46O2S and a molecular weight of 2194.74 g/mol. Its IUPAC name is 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.

Molecular Properties

Compound Name2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
PubChem CID157051441
Molecular FormulaC112H140N46O2S
Molecular Weight2194.74 g/mol
Exact Mass2193.20
IUPAC Name2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine
SMILESC=C(C)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.COC/C=C/c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.Cn1cc(-c2c(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn3c2N)cn1.Cn1cc(-c2cnn3c(N)c(-c4cccs4)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(-c4cnn(CCO)c4)c(C4CCCNC4)nc23)cn1
InChIInChI=1S/C20H25N9O.C19H23N9.C19H25N7O.C19H21N7S.C18H23N7.C17H23N7/c1-27-11-14(8-23-27)16-10-25-29-19(21)17(15-9-24-28(12-15)5-6-30)18(26-20(16)29)13-3-2-4-22-7-13;1-26-10-13(7-22-26)15-9-24-28-18(20)16(14-8-23-27(2)11-14)17(25-19(15)28)12-4-3-5-21-6-12;1-25-12-14(10-22-25)16-11-23-26-18(20)15(6-4-8-27-2)17(24-19(16)26)13-5-3-7-21-9-13;1-25-11-13(9-22-25)14-10-23-26-18(20)16(15-5-3-7-27-15)17(24-19(14)26)12-4-2-6-21-8-12;1-11(2)15-16(12-5-4-6-20-7-12)23-18-14(9-22-25(18)17(15)19)13-8-21-24(3)10-13;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12/h8-13,22,30H,2-7,21H2,1H3;7-12,21H,3-6,20H2,1-2H3;4,6,10-13,21H,3,5,7-9,20H2,1-2H3;3,5,7,9-12,21H,2,4,6,8,20H2,1H3;8-10,12,20H,1,4-7,19H2,2-3H3;8-11,19H,3-7,18H2,1-2H3/b;;6-4+;;;
InChIKeyAAGHAGPZBVLKGQ-JYWYIHAMSA-N
XLogP11.31
TPSA581.46 Ų
H-Bond Donors13
H-Bond Acceptors49
Rotatable Bonds22
Heavy Atoms161
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002194.74
LogP ≤ 511.31
H-Bond Donors ≤ 513
H-Bond Acceptors ≤ 1049

Analyze 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine with MolForge

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Launch Full Analysis

Related Compounds

3-(1-benzothiophen-3-ylmethyl)-5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazine;3-(4H-cyclopenta[b]thiophen-2-ylmethyl)-5-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazine;2-[4-[3-(imidazo[1,2-a]pyridin-7-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 158642183
2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 158942288
1-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]ethanone;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-isocyano-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 161083183
5-[1-(2-methylpropyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;5-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]-N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-(thiophen-2-ylmethyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-[4-(3-pyrrolidin-1-ylpropyl)phenyl]-5-[1-[[3-(trifluoromethyl)phenyl]methyl]pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine
CID 161297990
2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-(trifluoromethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 161689398
2-[5-[6-(2-Thieno[3,2-b]pyridin-3-ylpropylamino)pyrimidin-4-yl]pyrazolo[3,4-b]pyridin-1-yl]ethanol
CID 89868645
3-[7-(cyclopenten-1-yl)-1H-imidazo[4,5-b]pyridin-2-yl]-5-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-b]pyridine;ethane;2-(5-pyrazin-2-yl-2H-pyrazolo[3,4-b]pyridin-3-yl)-7-thiophen-3-yl-1H-imidazo[4,5-b]pyridine
CID 145037922
(2R)-3-methyl-2-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butan-1-ol;(2R,3R)-2-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol;(2S,3S)-2-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]butane-1,3-diol
CID 157058386
(2S)-3-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[4-[(6-phenyl-3-pyridinyl)methylamino]-8-propan-2-ylpyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2S)-3-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[8-propan-2-yl-4-[(4-thiophen-2-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2S)-3-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol;(2R)-3-[[8-propan-2-yl-4-[(4-thiophen-3-ylphenyl)methylamino]pyrazolo[1,5-a][1,3,5]triazin-2-yl]amino]propane-1,2-diol
CID 157354584
6-bromo-3-(5-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-3-(2-methylthiophen-3-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-bromo-5-piperidin-3-yl-3-(3H-pyrrol-2-yl)pyrazolo[1,5-a]pyrimidin-7-amine;3-(4-methylcyclopenta-1,4-dien-1-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;bis(5-piperidin-3-yl-3-prop-1-ynylpyrazolo[1,5-a]pyrimidin-7-amine)
CID 157455036
3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;[(1S,2R)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]methanol;2-[(1S,2R)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 157919099
3-bromo-5-cyclohexyl-N-[(1-oxidopyridin-1-ium-3-yl)methyl]pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-5-cyclohexyl-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine;3-bromo-N-[(1-oxidopyridin-1-ium-3-yl)methyl]-5-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]methanol;2-[(1S)-2-[3-bromo-7-(pyridin-3-ylmethylamino)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexyl]propan-2-ol
CID 157919100

Frequently Asked Questions

What is the IUPAC name of 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The IUPAC name of 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine (CID 157051441) is 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine.
What is the SMILES notation for 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The canonical SMILES for 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is C=C(C)c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.CCc1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.COC/C=C/c1c(C2CCCNC2)nc2c(-c3cnn(C)c3)cnn2c1N.Cn1cc(-c2c(C3CCCNC3)nc3c(-c4cnn(C)c4)cnn3c2N)cn1.Cn1cc(-c2cnn3c(N)c(-c4cccs4)c(C4CCCNC4)nc23)cn1.Cn1cc(-c2cnn3c(N)c(-c4cnn(CCO)c4)c(C4CCCNC4)nc23)cn1.
What is the InChIKey of 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
The InChIKey is AAGHAGPZBVLKGQ-JYWYIHAMSA-N. The full InChI is InChI=1S/C20H25N9O.C19H23N9.C19H25N7O.C19H21N7S.C18H23N7.C17H23N7/c1-27-11-14(8-23-27)16-10-25-29-19(21)17(15-9-24-28(12-15)5-6-30)18(26-20(16)29)13-3-2-4-22-7-13;1-26-10-13(7-22-26)15-9-24-28-18(20)16(14-8-23-27(2)11-14)17(25-19(15)28)12-4-3-5-21-6-12;1-25-12-14(10-22-25)16-11-23-26-18(20)15(6-4-8-27-2)17(24-19(16)26)13-5-3-7-21-9-13;1-25-11-13(9-22-25)14-10-23-26-18(20)16(15-5-3-7-27-15)17(24-19(14)26)12-4-2-6-21-8-12;1-11(2)15-16(12-5-4-6-20-7-12)23-18-14(9-22-25(18)17(15)19)13-8-21-24(3)10-13;1-3-13-15(11-5-4-6-19-7-11)22-17-14(9-21-24(17)16(13)18)12-8-20-23(2)10-12/h8-13,22,30H,2-7,21H2,1H3;7-12,21H,3-6,20H2,1-2H3;4,6,10-13,21H,3,5,7-9,20H2,1-2H3;3,5,7,9-12,21H,2,4,6,8,20H2,1H3;8-10,12,20H,1,4-7,19H2,2-3H3;8-11,19H,3-7,18H2,1-2H3/b;;6-4+;;;.
What are the key properties of 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine?
2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine has a molecular weight of 2194.74 g/mol, XLogP of 11.31, 22 rotatable bonds, 13 hydrogen bond donors, and 49 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[7-amino-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-6-yl]pyrazol-1-yl]ethanol;3,6-bis(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-ethyl-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;6-[(E)-3-methoxyprop-1-enyl]-3-(1-methylpyrazol-4-yl)-5-piperidin-3-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-prop-1-en-2-ylpyrazolo[1,5-a]pyrimidin-7-amine;3-(1-methylpyrazol-4-yl)-5-piperidin-3-yl-6-thiophen-2-ylpyrazolo[1,5-a]pyrimidin-7-amine is sourced from PubChem (CID 157051441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).