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

C16H11N5OS — CID 3155348

IUPAC6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccncc1
InChIInChI=1S/C16H11N5OS/c17-8-10-12(9-3-5-19-6-4-9)13-14(11-2-1-7-23-11)20-21-16(13)22-15(10)18/h1-7,12H,18H2,(H,20,21)
InChIKeyCBTGLXLKNNEDIS-UHFFFAOYSA-N
MW321.37 g/mol
LogP2.75
Rot. Bonds2

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

6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (PubChem CID 3155348) has the molecular formula C16H11N5OS and a molecular weight of 321.37 g/mol. Its IUPAC name is 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.

Molecular Properties

Compound Name6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
PubChem CID3155348
Molecular FormulaC16H11N5OS
Molecular Weight321.37 g/mol
Exact Mass321.07
IUPAC Name6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
SMILESN#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccncc1
InChIInChI=1S/C16H11N5OS/c17-8-10-12(9-3-5-19-6-4-9)13-14(11-2-1-7-23-11)20-21-16(13)22-15(10)18/h1-7,12H,18H2,(H,20,21)
InChIKeyCBTGLXLKNNEDIS-UHFFFAOYSA-N
XLogP2.75
TPSA100.61 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.37
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The IUPAC name of 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile (CID 3155348) is 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile.
What is the SMILES notation for 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The canonical SMILES for 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is N#CC1=C(N)Oc2n[nH]c(-c3cccs3)c2C1c1ccncc1.
What is the InChIKey of 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
The InChIKey is CBTGLXLKNNEDIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11N5OS/c17-8-10-12(9-3-5-19-6-4-9)13-14(11-2-1-7-23-11)20-21-16(13)22-15(10)18/h1-7,12H,18H2,(H,20,21).
What are the key properties of 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile?
6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile has a molecular weight of 321.37 g/mol, XLogP of 2.75, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-4-pyridin-4-yl-3-thiophen-2-yl-2,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile is sourced from PubChem (CID 3155348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).