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

C19H19N5O2 — CID 645269

IUPAC6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c2ccccc21
InChIInChI=1S/C19H19N5O2/c1-4-24-13-8-6-5-7-11(13)19(18(24)25)12(9-20)16(21)26-17-14(19)15(10(2)3)22-23-17/h5-8,10H,4,21H2,1-3H3,(H,22,23)
InChIKeyVRJGJKQIOYOBEW-UHFFFAOYSA-N
MW349.39 g/mol
LogP2.27
Rot. Bonds2

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

6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 645269) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID645269
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c2ccccc21
InChIInChI=1S/C19H19N5O2/c1-4-24-13-8-6-5-7-11(13)19(18(24)25)12(9-20)16(21)26-17-14(19)15(10(2)3)22-23-17/h5-8,10H,4,21H2,1-3H3,(H,22,23)
InChIKeyVRJGJKQIOYOBEW-UHFFFAOYSA-N
XLogP2.27
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 645269) is 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(C(C)C)c32)c2ccccc21.
What is the InChIKey of 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is VRJGJKQIOYOBEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-4-24-13-8-6-5-7-11(13)19(18(24)25)12(9-20)16(21)26-17-14(19)15(10(2)3)22-23-17/h5-8,10H,4,21H2,1-3H3,(H,22,23).
What are the key properties of 6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-ethyl-2'-oxo-3-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 349.39 g/mol, XLogP of 2.27, 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-propan-2-ylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 645269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).