6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C22H17N5O2 — CID 3922748

IUPAC6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c2ccccc21
InChIInChI=1S/C22H17N5O2/c1-2-27-16-11-7-6-10-14(16)22(21(27)28)15(12-23)19(24)29-20-17(22)18(25-26-20)13-8-4-3-5-9-13/h3-11H,2,24H2,1H3,(H,25,26)
InChIKeyRKOJRVCFUMVKBJ-UHFFFAOYSA-N
MW383.41 g/mol
LogP2.82
Rot. Bonds2

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

6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 3922748) has the molecular formula C22H17N5O2 and a molecular weight of 383.41 g/mol. Its IUPAC name is 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID3922748
Molecular FormulaC22H17N5O2
Molecular Weight383.41 g/mol
Exact Mass383.14
IUPAC Name6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c2ccccc21
InChIInChI=1S/C22H17N5O2/c1-2-27-16-11-7-6-10-14(16)22(21(27)28)15(12-23)19(24)29-20-17(22)18(25-26-20)13-8-4-3-5-9-13/h3-11H,2,24H2,1H3,(H,25,26)
InChIKeyRKOJRVCFUMVKBJ-UHFFFAOYSA-N
XLogP2.82
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.41
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 3922748) is 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c2ccccc21.
What is the InChIKey of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is RKOJRVCFUMVKBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H17N5O2/c1-2-27-16-11-7-6-10-14(16)22(21(27)28)15(12-23)19(24)29-20-17(22)18(25-26-20)13-8-4-3-5-9-13/h3-11H,2,24H2,1H3,(H,25,26).
What are the key properties of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 383.41 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 3922748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).