5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine

C16H12N6O — CID 88584564

IUPAC5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccco1
InChIInChI=1S/C16H12N6O/c17-15-14-10-20-22(12-5-2-1-3-6-12)16(14)18-11-21(15)19-9-13-7-4-8-23-13/h1-11,17H/b17-15-,19-9-
InChIKeyNEHZFSHEGAVQGI-NSUFAZJVSA-N
MW304.31 g/mol
LogP2.18
Rot. Bonds3

About 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine

5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine (PubChem CID 88584564) has the molecular formula C16H12N6O and a molecular weight of 304.31 g/mol. Its IUPAC name is 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine.

Molecular Properties

Compound Name5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
PubChem CID88584564
Molecular FormulaC16H12N6O
Molecular Weight304.31 g/mol
Exact Mass304.11
IUPAC Name5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine
SMILES[H]/N=c1/c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccco1
InChIInChI=1S/C16H12N6O/c17-15-14-10-20-22(12-5-2-1-3-6-12)16(14)18-11-21(15)19-9-13-7-4-8-23-13/h1-11,17H/b17-15-,19-9-
InChIKeyNEHZFSHEGAVQGI-NSUFAZJVSA-N
XLogP2.18
TPSA84.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.31
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine?
The IUPAC name of 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine (CID 88584564) is 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine.
What is the SMILES notation for 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine?
The canonical SMILES for 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine is [H]/N=c1/c2cnn(-c3ccccc3)c2ncn1/N=C\c1ccco1.
What is the InChIKey of 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine?
The InChIKey is NEHZFSHEGAVQGI-NSUFAZJVSA-N. The full InChI is InChI=1S/C16H12N6O/c17-15-14-10-20-22(12-5-2-1-3-6-12)16(14)18-11-21(15)19-9-13-7-4-8-23-13/h1-11,17H/b17-15-,19-9-.
What are the key properties of 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine?
5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine has a molecular weight of 304.31 g/mol, XLogP of 2.18, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(Z)-furan-2-ylmethylideneamino]-1-phenylpyrazolo[5,4-d]pyrimidin-4-imine is sourced from PubChem (CID 88584564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).