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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 — IUPAC name, SMILES, InChIKey & properties

Name: 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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 Data
Creator: MolForge
License: https://creativecommons.org/publicdomain/zero/1.0/

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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 158412405) has the molecular formula C84H69N23O8S and a molecular weight of 1560.70 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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 Name	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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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	158412405
Molecular Formula	C84H69N23O8S
Molecular Weight	1560.70 g/mol
Exact Mass	1559.54
IUPAC Name	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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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
SMILES	COc1ccc(-c2ccnn2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccccc3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)c3)c12.COc1ccc(-c2sccc2C)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12
InChI	InChI=1S/C22H17N5O2.C21H18N6O2.C21H17N5O2S.C20H17N7O2/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;1-27-7-5-14(10-27)19-18-20(22-12-23-21(18)26-25-19)24-16-9-13(3-4-17(16)28-2)15-6-8-29-11-15;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/h2-13H,1H3,(H2,23,24,25,26,27);3-12H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,21,22,24,25,26)
InChIKey	GZLYHVRZPBSGQL-UHFFFAOYSA-N
XLogP	18.57
TPSA	378.19 Å²
H-Bond Donors	8
H-Bond Acceptors	28
Rotatable Bonds	20
Heavy Atoms	116
Complexity	—

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1560.70
LogP ≤ 5	18.57
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	28

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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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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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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 158412405) 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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccn(C)c3)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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 GZLYHVRZPBSGQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2.C21H18N6O2.C21H17N5O2S.C20H17N7O2/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;1-27-7-5-14(10-27)19-18-20(22-12-23-21(18)26-25-19)24-16-9-13(3-4-17(16)28-2)15-6-8-29-11-15;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/h2-13H,1H3,(H2,23,24,25,26,27);3-12H,1-2H3,(H2,22,23,24,25,26);3-11H,1-2H3,(H2,22,23,24,25,26);3-11H,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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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?

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-(3-methylthiophen-2-yl)phenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1-methylpyrrol-3-yl)-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 158412405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).