3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine

C130H142Cl7N29O7S — CID 158636726

IUPAC3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
SMILESCC(C)(O)C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.CC1(O)CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.NC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OCC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIInChI=1S/C21H25ClN4O.2C19H21ClN4O.C18H20ClN5.C18H19ClN4O2S.C18H19ClN4O.C17H17ClN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-26-20(25-19)18(13-23-26)14-4-3-5-16(22)12-14;1-19(25)8-5-15(6-9-19)22-17-7-10-24-18(23-17)16(12-21-24)13-3-2-4-14(20)11-13;20-15-3-1-2-14(10-15)17-11-21-24-9-8-18(23-19(17)24)22-16-6-4-13(12-25)5-7-16;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;19-15-3-1-2-14(10-15)16-12-21-23-7-4-17(22-18(16)23)20-11-13-5-8-26(24,25)9-6-13;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;18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);2-4,7,10-12,15,25H,5-6,8-9H2,1H3,(H,22,23);1-3,8-11,13,16,25H,4-7,12H2,(H,22,23);1-3,8-11,14-15H,4-7,20H2,(H,22,23);1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22);1-3,8-11,14-15,24H,4-7H2,(H,21,22);1-4,7,10-11,14H,5-6,8-9H2,(H,20,21)
InChIKeyHZWAINSJWPPGHS-UHFFFAOYSA-N
MW2503.00 g/mol
LogP27.38
Rot. Bonds24

About 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine

3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine (PubChem CID 158636726) has the molecular formula C130H142Cl7N29O7S and a molecular weight of 2503.00 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine.

Molecular Properties

Compound Name3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
PubChem CID158636726
Molecular FormulaC130H142Cl7N29O7S
Molecular Weight2503.00 g/mol
Exact Mass2497.92
IUPAC Name3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine
SMILESCC(C)(O)C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.CC1(O)CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.NC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OCC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1
InChIInChI=1S/C21H25ClN4O.2C19H21ClN4O.C18H20ClN5.C18H19ClN4O2S.C18H19ClN4O.C17H17ClN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-26-20(25-19)18(13-23-26)14-4-3-5-16(22)12-14;1-19(25)8-5-15(6-9-19)22-17-7-10-24-18(23-17)16(12-21-24)13-3-2-4-14(20)11-13;20-15-3-1-2-14(10-15)17-11-21-24-9-8-18(23-19(17)24)22-16-6-4-13(12-25)5-7-16;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;19-15-3-1-2-14(10-15)16-12-21-23-7-4-17(22-18(16)23)20-11-13-5-8-26(24,25)9-6-13;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;18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);2-4,7,10-12,15,25H,5-6,8-9H2,1H3,(H,22,23);1-3,8-11,13,16,25H,4-7,12H2,(H,22,23);1-3,8-11,14-15H,4-7,20H2,(H,22,23);1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22);1-3,8-11,14-15,24H,4-7H2,(H,21,22);1-4,7,10-11,14H,5-6,8-9H2,(H,20,21)
InChIKeyHZWAINSJWPPGHS-UHFFFAOYSA-N
XLogP27.38
TPSA445.85 Ų
H-Bond Donors12
H-Bond Acceptors36
Rotatable Bonds24
Heavy Atoms174
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002503.00
LogP ≤ 527.38
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1036

Analyze 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine with MolForge

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Related Compounds

4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;1-methyl-4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol
CID 157643216
4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine;4-[3-[3-(trifluoromethyl)phenyl]pyrazolo[1,5-a]pyrimidin-5-yl]-1,4-thiazinane 1,1-dioxide
CID 159286291
4-[[3-(3-chlorophenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;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;N-[(1,1-dioxothian-4-yl)methyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;N-(oxan-4-yl)-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine;[4-[[3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol
CID 160956006
3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;bis(4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine);N-[(1-methylpiperidin-4-yl)methyl]-3-[3-(trifluoromethoxy)phenyl]pyrazolo[1,5-a]pyrimidin-5-amine
CID 161853215
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;N-(1,1-dioxothian-4-yl)-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine;3-(3-methylphenyl)-N-(oxan-4-ylmethyl)imidazo[1,2-b]pyridazin-6-amine
CID 157131584
3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;methane;1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 157499046
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;bis(1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol);3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 158037504
3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol
CID 158876923
bis(N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine);1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 159482929
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-amine;bis(1-methyl-4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol);4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)imidazo[1,2-b]pyridazin-6-yl]amino]cyclohexyl]propan-2-ol;3-(3-methylphenyl)-N-(oxan-4-yl)imidazo[1,2-b]pyridazin-6-amine
CID 159505167
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-amine;1-methyl-4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol
CID 159655505
N-[(1,1-dioxothian-4-yl)methyl]-3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;1-methyl-4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;3-(3-methylphenyl)-N-(oxan-4-yl)-[1,2,4]triazolo[4,3-a]pyridin-6-amine;4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexan-1-ol;[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-methylphenyl)-[1,2,4]triazolo[4,3-a]pyridin-6-yl]amino]cyclohexyl]propan-2-ol
CID 159924631

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
The IUPAC name of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine (CID 158636726) is 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine.
What is the SMILES notation for 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
The canonical SMILES for 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine is CC(C)(O)C1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.CC1(O)CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.Clc1cccc(-c2cnn3ccc(NC4CCOCC4)nc23)c1.NC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.O=S1(=O)CCC(CNc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.OCC1CCC(Nc2ccn3ncc(-c4cccc(Cl)c4)c3n2)CC1.
What is the InChIKey of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
The InChIKey is HZWAINSJWPPGHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25ClN4O.2C19H21ClN4O.C18H20ClN5.C18H19ClN4O2S.C18H19ClN4O.C17H17ClN4O/c1-21(2,27)15-6-8-17(9-7-15)24-19-10-11-26-20(25-19)18(13-23-26)14-4-3-5-16(22)12-14;1-19(25)8-5-15(6-9-19)22-17-7-10-24-18(23-17)16(12-21-24)13-3-2-4-14(20)11-13;20-15-3-1-2-14(10-15)17-11-21-24-9-8-18(23-19(17)24)22-16-6-4-13(12-25)5-7-16;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;19-15-3-1-2-14(10-15)16-12-21-23-7-4-17(22-18(16)23)20-11-13-5-8-26(24,25)9-6-13;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;18-13-3-1-2-12(10-13)15-11-19-22-7-4-16(21-17(15)22)20-14-5-8-23-9-6-14/h3-5,10-13,15,17,27H,6-9H2,1-2H3,(H,24,25);2-4,7,10-12,15,25H,5-6,8-9H2,1H3,(H,22,23);1-3,8-11,13,16,25H,4-7,12H2,(H,22,23);1-3,8-11,14-15H,4-7,20H2,(H,22,23);1-4,7,10,12-13H,5-6,8-9,11H2,(H,20,22);1-3,8-11,14-15,24H,4-7H2,(H,21,22);1-4,7,10-11,14H,5-6,8-9H2,(H,20,21).
What are the key properties of 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine?
3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine has a molecular weight of 2503.00 g/mol, XLogP of 27.38, 24 rotatable bonds, 12 hydrogen bond donors, and 36 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-N-[(1,1-dioxothian-4-yl)methyl]pyrazolo[1,5-a]pyrimidin-5-amine;3-(3-chlorophenyl)-N-(oxan-4-yl)pyrazolo[1,5-a]pyrimidin-5-amine;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexan-1-ol;[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]methanol;2-[4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]cyclohexyl]propan-2-ol;4-[[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]amino]-1-methylcyclohexan-1-ol;4-N-[3-(3-chlorophenyl)pyrazolo[1,5-a]pyrimidin-5-yl]cyclohexane-1,4-diamine is sourced from PubChem (CID 158636726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).