1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

C102H119Cl4F2N35 — CID 158037733

IUPAC1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc21.CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc21.Cc1cc(F)cc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1.Cc1cc(F)cc(Cc2nn(CC3CCNCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Cc1cccc(Cl)c1)nn2CC1CCNCC1.Nc1ncnc2c1c(Nc1cccc(Cl)c1)nn2CC1CCNCC1
InChIInChI=1S/C19H23FN6.C18H21ClN6.C17H20ClN7.C17H20FN5.C16H18ClN5.C15H17ClN6/c1-12-6-14(8-15(20)7-12)9-16-17-18(21)23-11-24-19(17)26(25-16)10-13-2-4-22-5-3-13;19-14-3-1-2-13(8-14)9-15-16-17(20)22-11-23-18(16)25(24-15)10-12-4-6-21-7-5-12;18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11;1-10-5-11(7-12(18)6-10)8-13-14-15(19)20-9-21-16(14)23(22-13)17(2,3)4;1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10;1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h6-8,11,13,22H,2-5,9-10H2,1H3,(H2,21,23,24);1-3,8,11-12,21H,4-7,9-10H2,(H2,20,22,23);1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22);5-7,9H,8H2,1-4H3,(H2,19,20,21);4-7,9H,8H2,1-3H3,(H2,18,19,20);4-8H,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyFHYTXEIGCWIXGR-UHFFFAOYSA-N
MW2015.13 g/mol
LogP18.07
Rot. Bonds18

About 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine

1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 158037733) has the molecular formula C102H119Cl4F2N35 and a molecular weight of 2015.13 g/mol. Its IUPAC name is 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID158037733
Molecular FormulaC102H119Cl4F2N35
Molecular Weight2015.13 g/mol
Exact Mass2011.91
IUPAC Name1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc21.CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc21.Cc1cc(F)cc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1.Cc1cc(F)cc(Cc2nn(CC3CCNCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Cc1cccc(Cl)c1)nn2CC1CCNCC1.Nc1ncnc2c1c(Nc1cccc(Cl)c1)nn2CC1CCNCC1
InChIInChI=1S/C19H23FN6.C18H21ClN6.C17H20ClN7.C17H20FN5.C16H18ClN5.C15H17ClN6/c1-12-6-14(8-15(20)7-12)9-16-17-18(21)23-11-24-19(17)26(25-16)10-13-2-4-22-5-3-13;19-14-3-1-2-13(8-14)9-15-16-17(20)22-11-23-18(16)25(24-15)10-12-4-6-21-7-5-12;18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11;1-10-5-11(7-12(18)6-10)8-13-14-15(19)20-9-21-16(14)23(22-13)17(2,3)4;1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10;1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h6-8,11,13,22H,2-5,9-10H2,1H3,(H2,21,23,24);1-3,8,11-12,21H,4-7,9-10H2,(H2,20,22,23);1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22);5-7,9H,8H2,1-4H3,(H2,19,20,21);4-7,9H,8H2,1-3H3,(H2,18,19,20);4-8H,1-3H3,(H,20,21)(H2,17,18,19)
InChIKeyFHYTXEIGCWIXGR-UHFFFAOYSA-N
XLogP18.07
TPSA477.87 Ų
H-Bond Donors11
H-Bond Acceptors35
Rotatable Bonds18
Heavy Atoms143
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002015.13
LogP ≤ 518.07
H-Bond Donors ≤ 511
H-Bond Acceptors ≤ 1035

Analyze 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Related Compounds

1-tert-butyl-3-[(3-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24865390
3-[(3-chlorophenyl)methyl]-1-(3-fluorocyclopentyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 142531525
1-tert-butyl-3-[[3-(dimethylamino)phenyl]methyl]pyrazolo[3,4-d]pyrimidin-4-amine
CID 24864850
N-[1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-yl]benzamide
CID 59633481
3-[4-amino-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-1-yl]cyclobutan-1-ol;tert-butyl N-[3-[(3-chlorophenyl)methyl]-1-(3-hydroxycyclobutyl)pyrazolo[3,4-d]pyrimidin-4-yl]carbamate
CID 163677119
3-iodo-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 71217432
1-cyclopentyl-3-N-(3-methylphenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 56944277
3-naphthalen-1-yl-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 162643501
N-(3-chlorophenyl)-9-ethylpurin-6-amine
CID 57203375
3-N-(3-methylphenyl)-1-phenylpyrazolo[3,4-d]pyrimidine-3,4-diamine
CID 118516884
1-benzyl-4-(3-chlorophenoxy)-N-(3-chlorophenyl)pyrazolo[5,4-d]pyrimidin-3-amine
CID 10600115
3-[4-[4-amino-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-3-yl]phenyl]benzonitrile
CID 71207850

Frequently Asked Questions

What is the IUPAC name of 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine (CID 158037733) is 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is CC(C)(C)n1nc(Cc2cccc(Cl)c2)c2c(N)ncnc21.CC(C)(C)n1nc(Nc2cccc(Cl)c2)c2c(N)ncnc21.Cc1cc(F)cc(Cc2nn(C(C)(C)C)c3ncnc(N)c23)c1.Cc1cc(F)cc(Cc2nn(CC3CCNCC3)c3ncnc(N)c23)c1.Nc1ncnc2c1c(Cc1cccc(Cl)c1)nn2CC1CCNCC1.Nc1ncnc2c1c(Nc1cccc(Cl)c1)nn2CC1CCNCC1.
What is the InChIKey of 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is FHYTXEIGCWIXGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23FN6.C18H21ClN6.C17H20ClN7.C17H20FN5.C16H18ClN5.C15H17ClN6/c1-12-6-14(8-15(20)7-12)9-16-17-18(21)23-11-24-19(17)26(25-16)10-13-2-4-22-5-3-13;19-14-3-1-2-13(8-14)9-15-16-17(20)22-11-23-18(16)25(24-15)10-12-4-6-21-7-5-12;18-12-2-1-3-13(8-12)23-16-14-15(19)21-10-22-17(14)25(24-16)9-11-4-6-20-7-5-11;1-10-5-11(7-12(18)6-10)8-13-14-15(19)20-9-21-16(14)23(22-13)17(2,3)4;1-16(2,3)22-15-13(14(18)19-9-20-15)12(21-22)8-10-5-4-6-11(17)7-10;1-15(2,3)22-14-11(12(17)18-8-19-14)13(21-22)20-10-6-4-5-9(16)7-10/h6-8,11,13,22H,2-5,9-10H2,1H3,(H2,21,23,24);1-3,8,11-12,21H,4-7,9-10H2,(H2,20,22,23);1-3,8,10-11,20H,4-7,9H2,(H,23,24)(H2,19,21,22);5-7,9H,8H2,1-4H3,(H2,19,20,21);4-7,9H,8H2,1-3H3,(H2,18,19,20);4-8H,1-3H3,(H,20,21)(H2,17,18,19).
What are the key properties of 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine?
1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 2015.13 g/mol, XLogP of 18.07, 18 rotatable bonds, 11 hydrogen bond donors, and 35 hydrogen bond acceptors.
Where does this data come from?
All data for 1-tert-butyl-3-[(3-chlorophenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;1-tert-butyl-3-N-(3-chlorophenyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;1-tert-butyl-3-[(3-fluoro-5-methylphenyl)methyl]pyrazolo[3,4-d]pyrimidin-4-amine;3-[(3-chlorophenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine;3-N-(3-chlorophenyl)-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidine-3,4-diamine;3-[(3-fluoro-5-methylphenyl)methyl]-1-(piperidin-4-ylmethyl)pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 158037733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).