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

C17H13N5O2 — CID 2951938

IUPAC6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)o1
InChIInChI=1S/C17H13N5O2/c1-9-4-5-12(23-9)13-11(7-18)16(19)24-17-14(13)15(21-22-17)10-3-2-6-20-8-10/h2-6,8,13H,19H2,1H3,(H,21,22)
InChIKeyYWDVDAAVROUAAF-UHFFFAOYSA-N
MW319.32 g/mol
LogP2.59
Rot. Bonds2

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

6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 2951938) has the molecular formula C17H13N5O2 and a molecular weight of 319.32 g/mol. Its IUPAC name is 6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID2951938
Molecular FormulaC17H13N5O2
Molecular Weight319.32 g/mol
Exact Mass319.11
IUPAC Name6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESCc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)o1
InChIInChI=1S/C17H13N5O2/c1-9-4-5-12(23-9)13-11(7-18)16(19)24-17-14(13)15(21-22-17)10-3-2-6-20-8-10/h2-6,8,13H,19H2,1H3,(H,21,22)
InChIKeyYWDVDAAVROUAAF-UHFFFAOYSA-N
XLogP2.59
TPSA113.75 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.32
LogP ≤ 52.59
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-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 2951938) is 6-amino-4-(5-methylfuran-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-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is Cc1ccc(C2C(C#N)=C(N)Oc3n[nH]c(-c4cccnc4)c32)o1.
What is the InChIKey of 6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is YWDVDAAVROUAAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13N5O2/c1-9-4-5-12(23-9)13-11(7-18)16(19)24-17-14(13)15(21-22-17)10-3-2-6-20-8-10/h2-6,8,13H,19H2,1H3,(H,21,22).
What are the key properties of 6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 319.32 g/mol, XLogP of 2.59, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-(5-methylfuran-2-yl)-3-pyridin-3-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 2951938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).