3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C83H67N23O8S2 — CID 160648905

IUPAC3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12
InChIInChI=1S/C22H17N5O2.C21H17N5O2S.C20H17N7O2.C20H16N6O2S/c1-28-18-8-7-15(16-9-10-29-12-16)11-17(18)25-21-19-20(14-5-3-2-4-6-14)26-27-22(19)24-13-23-21;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-27-14(7-8-23-27)12-5-6-15(28-2)13(10-12)24-19-17-18(16-4-3-9-29-16)25-26-20(17)22-11-21-19;1-11-23-14(9-29-11)12-5-6-15(27-2)13(8-12)24-19-17-18(16-4-3-7-28-16)25-26-20(17)22-10-21-19/h2-13H,1H3,(H2,23,24,25,26,27);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26);3-10H,1-2H3,(H2,21,22,24,25,26)
InChIKeyRKDSSCCEBHDWBX-UHFFFAOYSA-N
MW1578.74 g/mol
LogP19.00
Rot. Bonds20

About 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 160648905) has the molecular formula C83H67N23O8S2 and a molecular weight of 1578.74 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID160648905
Molecular FormulaC83H67N23O8S2
Molecular Weight1578.74 g/mol
Exact Mass1577.50
IUPAC Name3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12
InChIInChI=1S/C22H17N5O2.C21H17N5O2S.C20H17N7O2.C20H16N6O2S/c1-28-18-8-7-15(16-9-10-29-12-16)11-17(18)25-21-19-20(14-5-3-2-4-6-14)26-27-22(19)24-13-23-21;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-27-14(7-8-23-27)12-5-6-15(28-2)13(10-12)24-19-17-18(16-4-3-9-29-16)25-26-20(17)22-11-21-19;1-11-23-14(9-29-11)12-5-6-15(27-2)13(8-12)24-19-17-18(16-4-3-7-28-16)25-26-20(17)22-10-21-19/h2-13H,1H3,(H2,23,24,25,26,27);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26);3-10H,1-2H3,(H2,21,22,24,25,26)
InChIKeyRKDSSCCEBHDWBX-UHFFFAOYSA-N
XLogP19.00
TPSA386.15 Ų
H-Bond Donors8
H-Bond Acceptors29
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001578.74
LogP ≤ 519.00
H-Bond Donors ≤ 58
H-Bond Acceptors ≤ 1029

Analyze 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine with MolForge

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Launch Full Analysis

Related Compounds

3-cyclopenta-1,4-dien-1-yl-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-(1H-pyrrol-2-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-(2-methoxy-5-phenylphenyl)-3-thiophen-2-yl-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 160780917
3-bromo-N-[5-(furan-2-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 121487957
N-(2-methoxy-5-pyridin-2-ylphenyl)-3-(2H-pyrrol-5-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 162176008
3-(4-methoxyphenyl)-N-(4-methylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 19082673
[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]hydrazine
CID 15335263
4-(furan-3-yl)-2-methyl-1,3-thiazole
CID 130511762
4-(furan-3-yl)-3-phenyl-2H-pyrazolo[3,4-b]pyridine
CID 126672808
5-(3,4-dimethoxyphenyl)-3-(3-methylthiophen-2-yl)-2H-pyrazolo[3,4-b]pyrazine
CID 134805773
fluoromethane;3-[(2E,4Z)-hepta-2,4,6-trien-3-yl]-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 145388033
N-[4-(2-methyl-1,3-thiazol-4-yl)phenyl]-7H-purin-6-amine
CID 108772051
3-[(8aS)-1,7,8,8a-tetrahydronaphthalen-1-yl]-N-(2-methoxy-5-phenylphenyl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
CID 163890856
N-(2,5-dimethoxyphenyl)-5-methylthieno[2,3-d]pyrimidin-4-amine
CID 57422571

Frequently Asked Questions

What is the IUPAC name of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 160648905) is 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2csc(C)n2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.
What is the InChIKey of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is RKDSSCCEBHDWBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2.C21H17N5O2S.C20H17N7O2.C20H16N6O2S/c1-28-18-8-7-15(16-9-10-29-12-16)11-17(18)25-21-19-20(14-5-3-2-4-6-14)26-27-22(19)24-13-23-21;1-12-7-9-29-19(12)13-5-6-15(27-2)14(10-13)24-20-17-18(16-4-3-8-28-16)25-26-21(17)23-11-22-20;1-27-14(7-8-23-27)12-5-6-15(28-2)13(10-12)24-19-17-18(16-4-3-9-29-16)25-26-20(17)22-11-21-19;1-11-23-14(9-29-11)12-5-6-15(27-2)13(8-12)24-19-17-18(16-4-3-7-28-16)25-26-20(17)22-10-21-19/h2-13H,1H3,(H2,23,24,25,26,27);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26);3-10H,1-2H3,(H2,21,22,24,25,26).
What are the key properties of 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 1578.74 g/mol, XLogP of 19.00, 20 rotatable bonds, 8 hydrogen bond donors, and 29 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[2-methoxy-5-(2-methylpyrazol-3-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(2-methyl-1,3-thiazol-4-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;3-(furan-2-yl)-N-[2-methoxy-5-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-phenyl-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 160648905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).