3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

C39H30N12O5 — CID 145387993

IUPAC3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3cn[nH]c3)c12
InChIInChI=1S/C20H15N5O3.C19H15N7O2/c1-26-15-5-4-12(13-6-8-27-10-13)9-14(15)23-19-17-18(16-3-2-7-28-16)24-25-20(17)22-11-21-19;1-27-15-3-2-11(12-4-5-28-9-12)6-14(15)24-18-16-17(13-7-22-23-8-13)25-26-19(16)21-10-20-18/h2-11H,1H3,(H2,21,22,23,24,25);2-10H,1H3,(H,22,23)(H2,20,21,24,25,26)
InChIKeyXOVHXPIINSYMRA-UHFFFAOYSA-N
MW746.75 g/mol
LogP8.38
Rot. Bonds10

About 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine

3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (PubChem CID 145387993) has the molecular formula C39H30N12O5 and a molecular weight of 746.75 g/mol. Its IUPAC name is 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.

Molecular Properties

Compound Name3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
PubChem CID145387993
Molecular FormulaC39H30N12O5
Molecular Weight746.75 g/mol
Exact Mass746.25
IUPAC Name3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine
SMILESCOc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3cn[nH]c3)c12
InChIInChI=1S/C20H15N5O3.C19H15N7O2/c1-26-15-5-4-12(13-6-8-27-10-13)9-14(15)23-19-17-18(16-3-2-7-28-16)24-25-20(17)22-11-21-19;1-27-15-3-2-11(12-4-5-28-9-12)6-14(15)24-18-16-17(13-7-22-23-8-13)25-26-19(16)21-10-20-18/h2-11H,1H3,(H2,21,22,23,24,25);2-10H,1H3,(H,22,23)(H2,20,21,24,25,26)
InChIKeyXOVHXPIINSYMRA-UHFFFAOYSA-N
XLogP8.38
TPSA219.54 Ų
H-Bond Donors5
H-Bond Acceptors14
Rotatable Bonds10
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500746.75
LogP ≤ 58.38
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 1014

Analyze 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-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-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The IUPAC name of 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine (CID 145387993) is 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine.
What is the SMILES notation for 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The canonical SMILES for 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3ccco3)c12.COc1ccc(-c2ccoc2)cc1Nc1ncnc2n[nH]c(-c3cn[nH]c3)c12.
What is the InChIKey of 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
The InChIKey is XOVHXPIINSYMRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15N5O3.C19H15N7O2/c1-26-15-5-4-12(13-6-8-27-10-13)9-14(15)23-19-17-18(16-3-2-7-28-16)24-25-20(17)22-11-21-19;1-27-15-3-2-11(12-4-5-28-9-12)6-14(15)24-18-16-17(13-7-22-23-8-13)25-26-19(16)21-10-20-18/h2-11H,1H3,(H2,21,22,23,24,25);2-10H,1H3,(H,22,23)(H2,20,21,24,25,26).
What are the key properties of 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine?
3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine has a molecular weight of 746.75 g/mol, XLogP of 8.38, 10 rotatable bonds, 5 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(furan-2-yl)-N-[5-(furan-3-yl)-2-methoxyphenyl]-2H-pyrazolo[3,4-d]pyrimidin-4-amine;N-[5-(furan-3-yl)-2-methoxyphenyl]-3-(1H-pyrazol-4-yl)-2H-pyrazolo[3,4-d]pyrimidin-4-amine is sourced from PubChem (CID 145387993), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).