6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

C15H16N4O2S — CID 2950288

IUPAC6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCSc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)o1
InChIInChI=1S/C15H16N4O2S/c1-4-22-11-5-9(8(3)20-11)13-10(6-16)14(17)21-15-12(13)7(2)18-19-15/h5,13H,4,17H2,1-3H3,(H,18,19)
InChIKeyHIHQXJPAYXNYGV-UHFFFAOYSA-N
MW316.39 g/mol
LogP2.95
Rot. Bonds3

About 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile

6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2950288) has the molecular formula C15H16N4O2S and a molecular weight of 316.39 g/mol. Its IUPAC name is 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2950288
Molecular FormulaC15H16N4O2S
Molecular Weight316.39 g/mol
Exact Mass316.10
IUPAC Name6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCCSc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)o1
InChIInChI=1S/C15H16N4O2S/c1-4-22-11-5-9(8(3)20-11)13-10(6-16)14(17)21-15-12(13)7(2)18-19-15/h5,13H,4,17H2,1-3H3,(H,18,19)
InChIKeyHIHQXJPAYXNYGV-UHFFFAOYSA-N
XLogP2.95
TPSA100.86 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.39
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2950288) is 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is CCSc1cc(C2C(C#N)=C(N)Oc3n[nH]c(C)c32)c(C)o1.
What is the InChIKey of 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is HIHQXJPAYXNYGV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O2S/c1-4-22-11-5-9(8(3)20-11)13-10(6-16)14(17)21-15-12(13)7(2)18-19-15/h5,13H,4,17H2,1-3H3,(H,18,19).
What are the key properties of 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 316.39 g/mol, XLogP of 2.95, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(5-ethylsulfanyl-2-methylfuran-3-yl)-3-methyl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2950288), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).