1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C21H14N6O3 — CID 3240111

IUPAC1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c2ccccc21
InChIInChI=1S/C21H14N6O3/c1-11(28)27-15-8-3-2-6-12(15)21(20(27)29)13(10-22)18(23)30-19-16(21)17(25-26-19)14-7-4-5-9-24-14/h2-9H,23H2,1H3,(H,25,26)
InChIKeyFGANRYKDBBAZNE-UHFFFAOYSA-N
MW398.38 g/mol
LogP1.74
Rot. Bonds1

About 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 3240111) has the molecular formula C21H14N6O3 and a molecular weight of 398.38 g/mol. Its IUPAC name is 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID3240111
Molecular FormulaC21H14N6O3
Molecular Weight398.38 g/mol
Exact Mass398.11
IUPAC Name1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c2ccccc21
InChIInChI=1S/C21H14N6O3/c1-11(28)27-15-8-3-2-6-12(15)21(20(27)29)13(10-22)18(23)30-19-16(21)17(25-26-19)14-7-4-5-9-24-14/h2-9H,23H2,1H3,(H,25,26)
InChIKeyFGANRYKDBBAZNE-UHFFFAOYSA-N
XLogP1.74
TPSA137.99 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds1
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.38
LogP ≤ 51.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 3240111) is 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CC(=O)N1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccn4)c32)c2ccccc21.
What is the InChIKey of 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is FGANRYKDBBAZNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14N6O3/c1-11(28)27-15-8-3-2-6-12(15)21(20(27)29)13(10-22)18(23)30-19-16(21)17(25-26-19)14-7-4-5-9-24-14/h2-9H,23H2,1H3,(H,25,26).
What are the key properties of 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 398.38 g/mol, XLogP of 1.74, 1 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1'-acetyl-6-amino-2'-oxo-3-pyridin-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 3240111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).