6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C16H10N6O4 — CID 4673520

IUPAC6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2C1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H10N6O4/c17-6-9-12(10-3-4-11(25-10)22(23)24)13-14(8-2-1-5-19-7-8)20-21-16(13)26-15(9)18/h1-5,7,12H,18H2,(H,20,21)
InChIKeyBPEDIAWHBQQNEC-UHFFFAOYSA-N
MW350.29 g/mol
LogP2.19
Rot. Bonds3

About 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 4673520) has the molecular formula C16H10N6O4 and a molecular weight of 350.29 g/mol. Its IUPAC name is 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID4673520
Molecular FormulaC16H10N6O4
Molecular Weight350.29 g/mol
Exact Mass350.08
IUPAC Name6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2C1c1ccc([N+](=O)[O-])o1
InChIInChI=1S/C16H10N6O4/c17-6-9-12(10-3-4-11(25-10)22(23)24)13-14(8-2-1-5-19-7-8)20-21-16(13)26-15(9)18/h1-5,7,12H,18H2,(H,20,21)
InChIKeyBPEDIAWHBQQNEC-UHFFFAOYSA-N
XLogP2.19
TPSA156.89 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.29
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 4673520) is 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3cccnc3)c2C1c1ccc([N+](=O)[O-])o1.
What is the InChIKey of 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is BPEDIAWHBQQNEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10N6O4/c17-6-9-12(10-3-4-11(25-10)22(23)24)13-14(8-2-1-5-19-7-8)20-21-16(13)26-15(9)18/h1-5,7,12H,18H2,(H,20,21).
What are the key properties of 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 350.29 g/mol, XLogP of 2.19, 3 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(5-nitrofuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 4673520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).