6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

C22H21N5O2 — CID 53447805

IUPAC6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)OC3NNC(c4ccccc4)C32)c2ccccc21
InChIInChI=1S/C22H21N5O2/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/h3-11,17-18,20,25-26H,2,24H2,1H3
InChIKeyYNLLPQXVWXXFKI-UHFFFAOYSA-N
MW387.44 g/mol
LogP1.81
Rot. Bonds2

About 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile

6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 53447805) has the molecular formula C22H21N5O2 and a molecular weight of 387.44 g/mol. Its IUPAC name is 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID53447805
Molecular FormulaC22H21N5O2
Molecular Weight387.44 g/mol
Exact Mass387.17
IUPAC Name6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)OC3NNC(c4ccccc4)C32)c2ccccc21
InChIInChI=1S/C22H21N5O2/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/h3-11,17-18,20,25-26H,2,24H2,1H3
InChIKeyYNLLPQXVWXXFKI-UHFFFAOYSA-N
XLogP1.81
TPSA103.41 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.44
LogP ≤ 51.81
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 53447805) is 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCN1C(=O)C2(C(C#N)=C(N)OC3NNC(c4ccccc4)C32)c2ccccc21.
What is the InChIKey of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is YNLLPQXVWXXFKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2/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/h3-11,17-18,20,25-26H,2,24H2,1H3.
What are the key properties of 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 387.44 g/mol, XLogP of 1.81, 2 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-ethyl-2'-oxo-3-phenylspiro[2,3,3a,7a-tetrahydro-1H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 53447805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).