2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide

C17H14N6O3 — CID 3764269

IUPAC2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide
SMILESCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C17H14N6O3/c1-8-13-15(22-21-8)26-14(20)10(6-18)17(13)9-4-2-3-5-11(9)23(16(17)25)7-12(19)24/h2-5H,7,20H2,1H3,(H2,19,24)(H,21,22)
InChIKeyJNOCXBJZRYSWHW-UHFFFAOYSA-N
MW350.34 g/mol
LogP-0.08
Rot. Bonds2

About 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide

2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide (PubChem CID 3764269) has the molecular formula C17H14N6O3 and a molecular weight of 350.34 g/mol. Its IUPAC name is 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide.

Molecular Properties

Compound Name2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide
PubChem CID3764269
Molecular FormulaC17H14N6O3
Molecular Weight350.34 g/mol
Exact Mass350.11
IUPAC Name2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide
SMILESCc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2
InChIInChI=1S/C17H14N6O3/c1-8-13-15(22-21-8)26-14(20)10(6-18)17(13)9-4-2-3-5-11(9)23(16(17)25)7-12(19)24/h2-5H,7,20H2,1H3,(H2,19,24)(H,21,22)
InChIKeyJNOCXBJZRYSWHW-UHFFFAOYSA-N
XLogP-0.08
TPSA151.12 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.34
LogP ≤ 5-0.08
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide?
The IUPAC name of 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide (CID 3764269) is 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide.
What is the SMILES notation for 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide?
The canonical SMILES for 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide is Cc1[nH]nc2c1C1(C(=O)N(CC(N)=O)c3ccccc31)C(C#N)=C(N)O2.
What is the InChIKey of 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide?
The InChIKey is JNOCXBJZRYSWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14N6O3/c1-8-13-15(22-21-8)26-14(20)10(6-18)17(13)9-4-2-3-5-11(9)23(16(17)25)7-12(19)24/h2-5H,7,20H2,1H3,(H2,19,24)(H,21,22).
What are the key properties of 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide?
2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide has a molecular weight of 350.34 g/mol, XLogP of -0.08, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-amino-5-cyano-3-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-1'-yl)acetamide is sourced from PubChem (CID 3764269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).