N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide

C22H15N5O4 — CID 71602204

IUPACN-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
SMILESCc1nc(N(C(=O)c2ccco2)C(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C22H15N5O4/c1-14-23-16-13-26(15-7-3-2-4-8-15)25-19(16)20(24-14)27(21(28)17-9-5-11-30-17)22(29)18-10-6-12-31-18/h2-13H,1H3
InChIKeyVHWUPCVBJXESFO-UHFFFAOYSA-N
MW413.39 g/mol
LogP3.80
Rot. Bonds4

About N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide

N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide (PubChem CID 71602204) has the molecular formula C22H15N5O4 and a molecular weight of 413.39 g/mol. Its IUPAC name is N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide.

Molecular Properties

Compound NameN-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
PubChem CID71602204
Molecular FormulaC22H15N5O4
Molecular Weight413.39 g/mol
Exact Mass413.11
IUPAC NameN-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide
SMILESCc1nc(N(C(=O)c2ccco2)C(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1
InChIInChI=1S/C22H15N5O4/c1-14-23-16-13-26(15-7-3-2-4-8-15)25-19(16)20(24-14)27(21(28)17-9-5-11-30-17)22(29)18-10-6-12-31-18/h2-13H,1H3
InChIKeyVHWUPCVBJXESFO-UHFFFAOYSA-N
XLogP3.80
TPSA107.26 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.39
LogP ≤ 53.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
The IUPAC name of N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide (CID 71602204) is N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide.
What is the SMILES notation for N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
The canonical SMILES for N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide is Cc1nc(N(C(=O)c2ccco2)C(=O)c2ccco2)c2nn(-c3ccccc3)cc2n1.
What is the InChIKey of N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
The InChIKey is VHWUPCVBJXESFO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H15N5O4/c1-14-23-16-13-26(15-7-3-2-4-8-15)25-19(16)20(24-14)27(21(28)17-9-5-11-30-17)22(29)18-10-6-12-31-18/h2-13H,1H3.
What are the key properties of N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide?
N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide has a molecular weight of 413.39 g/mol, XLogP of 3.80, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(furan-2-carbonyl)-N-(5-methyl-2-phenylpyrazolo[4,3-d]pyrimidin-7-yl)furan-2-carboxamide is sourced from PubChem (CID 71602204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).