N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide

C25H15N5O4S — CID 127037424

IUPACN-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H
InChIKeyPJRZFTAEAPSVMB-UHFFFAOYSA-N
MW481.49 g/mol
LogP5.22
Rot. Bonds5

About N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide

N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide (PubChem CID 127037424) has the molecular formula C25H15N5O4S and a molecular weight of 481.49 g/mol. Its IUPAC name is N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
PubChem CID127037424
Molecular FormulaC25H15N5O4S
Molecular Weight481.49 g/mol
Exact Mass481.08
IUPAC NameN-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
SMILESO=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12
InChIInChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H
InChIKeyPJRZFTAEAPSVMB-UHFFFAOYSA-N
XLogP5.22
TPSA107.26 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.49
LogP ≤ 55.22
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide (CID 127037424) is N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide is O=C(c1ccco1)N(C(=O)c1ccco1)c1nc(-c2cccs2)nc2cn(-c3ccccc3)nc12.
What is the InChIKey of N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
The InChIKey is PJRZFTAEAPSVMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H15N5O4S/c31-24(18-9-4-12-33-18)30(25(32)19-10-5-13-34-19)23-21-17(26-22(27-23)20-11-6-14-35-20)15-29(28-21)16-7-2-1-3-8-16/h1-15H.
What are the key properties of N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide has a molecular weight of 481.49 g/mol, XLogP of 5.22, 5 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-carbonyl)-N-(2-phenyl-5-thiophen-2-ylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 127037424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).