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

C89H71N21O5S — CID 160780917

IUPAC3-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
SMILESCOc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccc[nH]3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3cccs3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=CCC=C3)c12
InChIInChI=1S/C23H19N5O.C22H18N6O.C22H17N5O2.C22H17N5OS/c1-29-19-12-11-17(15-7-3-2-4-8-15)13-18(19)26-22-20-21(16-9-5-6-10-16)27-28-23(20)25-14-24-22;1-29-18-10-9-15(14-6-3-2-4-7-14)12-17(18)26-21-19-20(16-8-5-11-23-16)27-28-22(19)25-13-24-21;2*1-28-17-10-9-15(14-6-3-2-4-7-14)12-16(17)25-21-19-20(18-8-5-11-29-18)26-27-22(19)24-13-23-21/h2-5,7-14H,6H2,1H3,(H2,24,25,26,27,28);2-13,23H,1H3,(H2,24,25,26,27,28);2*2-13H,1H3,(H2,23,24,25,26,27)
InChIKeySAOGAWDVESYTEG-UHFFFAOYSA-N
MW1546.76 g/mol
LogP20.42
Rot. Bonds20

About 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

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 (PubChem CID 160780917) has the molecular formula C89H71N21O5S and a molecular weight of 1546.76 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID160780917
Molecular FormulaC89H71N21O5S
Molecular Weight1546.76 g/mol
Exact Mass1545.57
IUPAC Name3-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
SMILESCOc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccc[nH]3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3cccs3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=CCC=C3)c12
InChIInChI=1S/C23H19N5O.C22H18N6O.C22H17N5O2.C22H17N5OS/c1-29-19-12-11-17(15-7-3-2-4-8-15)13-18(19)26-22-20-21(16-9-5-6-10-16)27-28-23(20)25-14-24-22;1-29-18-10-9-15(14-6-3-2-4-7-14)12-17(18)26-21-19-20(16-8-5-11-23-16)27-28-22(19)25-13-24-21;2*1-28-17-10-9-15(14-6-3-2-4-7-14)12-16(17)25-21-19-20(18-8-5-11-29-18)26-27-22(19)24-13-23-21/h2-5,7-14H,6H2,1H3,(H2,24,25,26,27,28);2-13,23H,1H3,(H2,24,25,26,27,28);2*2-13H,1H3,(H2,23,24,25,26,27)
InChIKeySAOGAWDVESYTEG-UHFFFAOYSA-N
XLogP20.42
TPSA331.81 Ų
H-Bond Donors9
H-Bond Acceptors22
Rotatable Bonds20
Heavy Atoms116
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001546.76
LogP ≤ 520.42
H-Bond Donors ≤ 59
H-Bond Acceptors ≤ 1022

Analyze 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 with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccc[nH]3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(-c3cccs3)c12.COc1ccc(-c2ccccc2)cc1Nc1ncnc2n[nH]c(C3=CCC=C3)c12.
What is the InChIKey of 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?
The InChIKey is SAOGAWDVESYTEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O.C22H18N6O.C22H17N5O2.C22H17N5OS/c1-29-19-12-11-17(15-7-3-2-4-8-15)13-18(19)26-22-20-21(16-9-5-6-10-16)27-28-23(20)25-14-24-22;1-29-18-10-9-15(14-6-3-2-4-7-14)12-17(18)26-21-19-20(16-8-5-11-23-16)27-28-22(19)25-13-24-21;2*1-28-17-10-9-15(14-6-3-2-4-7-14)12-16(17)25-21-19-20(18-8-5-11-29-18)26-27-22(19)24-13-23-21/h2-5,7-14H,6H2,1H3,(H2,24,25,26,27,28);2-13,23H,1H3,(H2,24,25,26,27,28);2*2-13H,1H3,(H2,23,24,25,26,27).
What are the key properties of 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?
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 has a molecular weight of 1546.76 g/mol, XLogP of 20.42, 20 rotatable bonds, 9 hydrogen bond donors, and 22 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 160780917), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).