2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile

C17H10N2O3S — CID 23790742

IUPAC2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(oc(=O)c3ccccc23)C1c1ccsc1
InChIInChI=1S/C17H10N2O3S/c18-7-12-13(9-5-6-23-8-9)15-14(21-16(12)19)10-3-1-2-4-11(10)17(20)22-15/h1-6,8,13H,19H2
InChIKeyUKDWQNZPRSZNQF-UHFFFAOYSA-N
MW322.35 g/mol
LogP3.07
Rot. Bonds1

About 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile

2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile (PubChem CID 23790742) has the molecular formula C17H10N2O3S and a molecular weight of 322.35 g/mol. Its IUPAC name is 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile.

Molecular Properties

Compound Name2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile
PubChem CID23790742
Molecular FormulaC17H10N2O3S
Molecular Weight322.35 g/mol
Exact Mass322.04
IUPAC Name2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile
SMILESN#CC1=C(N)Oc2c(oc(=O)c3ccccc23)C1c1ccsc1
InChIInChI=1S/C17H10N2O3S/c18-7-12-13(9-5-6-23-8-9)15-14(21-16(12)19)10-3-1-2-4-11(10)17(20)22-15/h1-6,8,13H,19H2
InChIKeyUKDWQNZPRSZNQF-UHFFFAOYSA-N
XLogP3.07
TPSA89.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.35
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(4S)-2-amino-5-oxo-4-thiophen-3-yl-4,6-dihydropyrano[3,2-c]quinoline-3-carbonitrile
CID 671892
(1R)-3-amino-5-hydroxy-1-thiophen-3-yl-1H-benzo[f]chromene-2-carbonitrile
CID 912920
2-amino-5-oxo-4-phenyl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2815057
2,7-diamino-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2839508
2-amino-7-hydroxy-4-thiophen-3-yl-4H-chromene-3-carbonitrile
CID 2837584
(4R)-2-amino-5-oxo-4-pyridin-4-yl-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 673966
(4R)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680069
(4S)-2-amino-4-(4-fluorophenyl)-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 680068
2-amino-5-oxo-4-phenyl-4H-thiochromeno[4,3-b]pyran-3-carbonitrile
CID 4915894
2-amino-6-chloro-4-(2-chlorophenyl)-4H-benzo[h]chromene-3-carbonitrile
CID 155522378
2-amino-10-oxo-4-(3-phenylmethoxyphenyl)-4H-pyrano[3,2-b]chromene-3-carbonitrile
CID 23822591
2-amino-4-methyl-5-oxo-4H-pyrano[3,2-c]chromene-3-carbonitrile
CID 2855827

Frequently Asked Questions

What is the IUPAC name of 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile?
The IUPAC name of 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile (CID 23790742) is 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile.
What is the SMILES notation for 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile?
The canonical SMILES for 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile is N#CC1=C(N)Oc2c(oc(=O)c3ccccc23)C1c1ccsc1.
What is the InChIKey of 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile?
The InChIKey is UKDWQNZPRSZNQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10N2O3S/c18-7-12-13(9-5-6-23-8-9)15-14(21-16(12)19)10-3-1-2-4-11(10)17(20)22-15/h1-6,8,13H,19H2.
What are the key properties of 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile?
2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile has a molecular weight of 322.35 g/mol, XLogP of 3.07, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-oxo-4-thiophen-3-yl-4H-pyrano[3,2-c]isochromene-3-carbonitrile is sourced from PubChem (CID 23790742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).