2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol

C135H145Cl3F12N32O8 — CID 158874789

IUPAC2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol
SMILESCC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.CC1(O)CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1.CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.NC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.NC1CCCN(c2ccn3ncc(-c4cccc(Cl)c4)c3n2)C1.O=C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OCC1CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C22H26F3N5O2.C20H22F3N5O.2C20H21F3N4O2.C18H20ClN5.C18H17ClN4O.C17H18ClN5/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25;1-27-8-5-14(6-9-27)12-24-18-7-10-28-19(26-18)17(13-25-28)15-3-2-4-16(11-15)29-20(21,22)23;1-19(28)9-7-14(8-10-19)24-15-5-6-17-25-26-18(27(17)12-15)13-3-2-4-16(11-13)29-20(21,22)23;21-20(22,23)29-17-3-1-2-14(10-17)19-26-25-18-9-8-16(11-27(18)19)24-15-6-4-13(12-28)5-7-15;19-13-3-1-2-12(10-13)16-11-21-24-9-8-17(23-18(16)24)22-15-6-4-14(20)5-7-15;19-13-3-1-2-12(10-13)16-11-20-23-9-8-17(22-18(16)23)21-14-4-6-15(24)7-5-14;18-13-4-1-3-12(9-13)15-10-20-23-8-6-16(21-17(15)23)22-7-2-5-14(19)11-22/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29);2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3,(H,24,26);2-6,11-12,14,24,28H,7-10H2,1H3;1-3,8-11,13,15,24,28H,4-7,12H2;1-3,8-11,14-15H,4-7,20H2,(H,22,23);1-3,8-11,14H,4-7H2,(H,21,22);1,3-4,6,8-10,14H,2,5,7,11,19H2
InChIKeyJCHKEHFNIBDKOW-UHFFFAOYSA-N
MW2678.20 g/mol
LogP28.01
Rot. Bonds27

About 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol

2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol (PubChem CID 158874789) has the molecular formula C135H145Cl3F12N32O8 and a molecular weight of 2678.20 g/mol. Its IUPAC name is 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol.

Molecular Properties

Compound Name2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol
PubChem CID158874789
Molecular FormulaC135H145Cl3F12N32O8
Molecular Weight2678.20 g/mol
Exact Mass2675.08
IUPAC Name2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol
SMILESCC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.CC1(O)CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1.CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.NC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.NC1CCCN(c2ccn3ncc(-c4cccc(Cl)c4)c3n2)C1.O=C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OCC1CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1
InChIInChI=1S/C22H26F3N5O2.C20H22F3N5O.2C20H21F3N4O2.C18H20ClN5.C18H17ClN4O.C17H18ClN5/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25;1-27-8-5-14(6-9-27)12-24-18-7-10-28-19(26-18)17(13-25-28)15-3-2-4-16(11-15)29-20(21,22)23;1-19(28)9-7-14(8-10-19)24-15-5-6-17-25-26-18(27(17)12-15)13-3-2-4-16(11-13)29-20(21,22)23;21-20(22,23)29-17-3-1-2-14(10-17)19-26-25-18-9-8-16(11-27(18)19)24-15-6-4-13(12-28)5-7-15;19-13-3-1-2-12(10-13)16-11-21-24-9-8-17(23-18(16)24)22-15-6-4-14(20)5-7-15;19-13-3-1-2-12(10-13)16-11-20-23-9-8-17(22-18(16)23)21-14-4-6-15(24)7-5-14;18-13-4-1-3-12(9-13)15-10-20-23-8-6-16(21-17(15)23)22-7-2-5-14(19)11-22/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29);2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3,(H,24,26);2-6,11-12,14,24,28H,7-10H2,1H3;1-3,8-11,13,15,24,28H,4-7,12H2;1-3,8-11,14-15H,4-7,20H2,(H,22,23);1-3,8-11,14H,4-7H2,(H,21,22);1,3-4,6,8-10,14H,2,5,7,11,19H2
InChIKeyJCHKEHFNIBDKOW-UHFFFAOYSA-N
XLogP28.01
TPSA482.73 Ų
H-Bond Donors12
H-Bond Acceptors40
Rotatable Bonds27
Heavy Atoms190
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002678.20
LogP ≤ 528.01
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1040

Analyze 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol with MolForge

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Related Compounds

[6-Amino-2-(4-bromophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-amino-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]methanol;[6-bromo-2-(3-methoxyphenyl)imidazo[1,2-a]pyrazin-3-yl]methanol;[6-bromo-2-[4-(trifluoromethyl)phenyl]imidazo[1,2-a]pyrazin-3-yl]methanol;[6-chloro-2-(4-chlorophenyl)imidazo[1,2-b]pyridazin-3-yl]methanol;1-[2-(4-chlorophenyl)-3-(hydroxymethyl)imidazo[1,2-a]pyridin-6-yl]propan-2-one;[2-(4-chlorophenyl)imidazo[1,2-a]pyrazin-3-yl]methanol
CID 157447084
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;4-[[8-[3-(fluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;methyl 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 157465069
1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;4-N-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;(3S)-1-[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 157587097
4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-N,N-dimethylbenzamide;methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;methyl 4-[[8-(3-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 157736957
Methyl 4-[[8-(3-chlorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;methyl 4-[[8-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoate;4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]benzoic acid;1-[4-[[8-[3-(trifluoromethyl)phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]phenyl]ethanone
CID 158233352
5-(3-chlorophenyl)-N-(2-methyl-4-pyridinyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[1-(2-methylpropyl)pyrazol-4-yl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 158871886
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-one;(3R)-1-N-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,3-diamine;4-N-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]piperidin-3-amine;2-(dimethylamino)-1-[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]piperidin-1-yl]ethanone;N-(2-morpholin-4-ylethyl)-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]methyl]phenyl]methanol
CID 159016116
6-(6-chloro-2-ethylimidazo[4,5-b]pyridin-1-yl)-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;N-[4-(difluoromethoxy)phenyl]-6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethoxy)phenyl]pyrazin-2-amine;6-[1-ethyl-5-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)phenyl]pyrazin-2-amine;[6-fluoro-3-[6-[4-(trifluoromethyl)anilino]pyrazin-2-yl]imidazo[1,2-a]pyridin-2-yl]methanol
CID 159204752
1-[3-Chloro-5-[4-imidazo[1,2-a]pyridin-2-yl-5-methyl-6-[methyl(oxan-4-yl)amino]pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-chloro-5-[5-methyl-4-[methyl(oxan-4-yl)amino]-6-([1,2,4]triazolo[4,3-a]pyridin-7-yl)pyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol;1-[3-[[6-[6-(1,1-difluoroethyl)-3-pyridinyl]-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one;1-[3-[[6-(3,4-dimethoxyphenyl)-2-[3-[2-hydroxy-3-(methylamino)propoxy]phenyl]pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 159341057
N-(2-chloro-4-pyridinyl)-5-(4-methoxyphenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-(3,5-difluorophenyl)-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol;(3R)-1-[2-[(2-methyl-4-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]piperidin-3-ol;N-(2-methyl-4-pyridinyl)-5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-amine;[4-[[5-[2-(trifluoromethyl)-4-pyridinyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]amino]-2-pyridinyl]methanol
CID 159735655
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexane-1-carboximidamide;N-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexylidene]hydroxylamine;3-(3-chlorophenyl)-N-[4-(isocyanomethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;3-(3-fluorophenyl)-N-[4-(methylsulfonylmethyl)cyclohexyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-[4-(methylsulfonylmethyl)cyclohexyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol
CID 159736673
3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]-1-methylcyclohexan-1-ol;3-(3-chlorophenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;2-methyl-4-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxybutan-2-ol;3-[3-[3-(trifluoromethoxy)phenyl]imidazo[1,2-b]pyridazin-6-yl]oxypropan-1-ol
CID 159771461

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol?
The IUPAC name of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol (CID 158874789) is 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol.
What is the SMILES notation for 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol?
The canonical SMILES for 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol is CC(C)(O)C1CCC(Nc2cc(N)n3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.CC1(O)CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1.CN1CCC(CNc2ccn3ncc(-c4cccc(OC(F)(F)F)c4)c3n2)CC1.NC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.NC1CCCN(c2ccn3ncc(-c4cccc(Cl)c4)c3n2)C1.O=C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OCC1CCC(Nc2ccc3nnc(-c4cccc(OC(F)(F)F)c4)n3c2)CC1.
What is the InChIKey of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol?
The InChIKey is JCHKEHFNIBDKOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26F3N5O2.C20H22F3N5O.2C20H21F3N4O2.C18H20ClN5.C18H17ClN4O.C17H18ClN5/c1-21(2,31)14-6-8-15(9-7-14)28-19-11-18(26)30-20(29-19)17(12-27-30)13-4-3-5-16(10-13)32-22(23,24)25;1-27-8-5-14(6-9-27)12-24-18-7-10-28-19(26-18)17(13-25-28)15-3-2-4-16(11-15)29-20(21,22)23;1-19(28)9-7-14(8-10-19)24-15-5-6-17-25-26-18(27(17)12-15)13-3-2-4-16(11-13)29-20(21,22)23;21-20(22,23)29-17-3-1-2-14(10-17)19-26-25-18-9-8-16(11-27(18)19)24-15-6-4-13(12-28)5-7-15;19-13-3-1-2-12(10-13)16-11-21-24-9-8-17(23-18(16)24)22-15-6-4-14(20)5-7-15;19-13-3-1-2-12(10-13)16-11-20-23-9-8-17(22-18(16)23)21-14-4-6-15(24)7-5-14;18-13-4-1-3-12(9-13)15-10-20-23-8-6-16(21-17(15)23)22-7-2-5-14(19)11-22/h3-5,10-12,14-15,31H,6-9,26H2,1-2H3,(H,28,29);2-4,7,10-11,13-14H,5-6,8-9,12H2,1H3,(H,24,26);2-6,11-12,14,24,28H,7-10H2,1H3;1-3,8-11,13,15,24,28H,4-7,12H2;1-3,8-11,14-15H,4-7,20H2,(H,22,23);1-3,8-11,14H,4-7H2,(H,21,22);1,3-4,6,8-10,14H,2,5,7,11,19H2.
What are the key properties of 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol?
2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol has a molecular weight of 2678.20 g/mol, XLogP of 28.01, 27 rotatable bonds, 12 hydrogen bond donors, and 40 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[7-amino-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-one;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine;1-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]piperidin-3-amine;N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethoxy)phenyl]-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol is sourced from PubChem (CID 158874789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).