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

C21H15N5O2 — CID 3992081

IUPAC6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c2ccccc21
InChIInChI=1S/C21H15N5O2/c1-26-15-10-6-5-9-13(15)21(20(26)27)14(11-22)18(23)28-19-16(21)17(24-25-19)12-7-3-2-4-8-12/h2-10H,23H2,1H3,(H,24,25)
InChIKeyFAFCVSGYLBGBAH-UHFFFAOYSA-N
MW369.38 g/mol
LogP2.43
Rot. Bonds1

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

6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (PubChem CID 3992081) has the molecular formula C21H15N5O2 and a molecular weight of 369.38 g/mol. Its IUPAC name is 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.

Molecular Properties

Compound Name6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
PubChem CID3992081
Molecular FormulaC21H15N5O2
Molecular Weight369.38 g/mol
Exact Mass369.12
IUPAC Name6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile
SMILESCN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c2ccccc21
InChIInChI=1S/C21H15N5O2/c1-26-15-10-6-5-9-13(15)21(20(26)27)14(11-22)18(23)28-19-16(21)17(24-25-19)12-7-3-2-4-8-12/h2-10H,23H2,1H3,(H,24,25)
InChIKeyFAFCVSGYLBGBAH-UHFFFAOYSA-N
XLogP2.43
TPSA108.03 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.38
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The IUPAC name of 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile (CID 3992081) is 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile.
What is the SMILES notation for 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The canonical SMILES for 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is CN1C(=O)C2(C(C#N)=C(N)Oc3n[nH]c(-c4ccccc4)c32)c2ccccc21.
What is the InChIKey of 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
The InChIKey is FAFCVSGYLBGBAH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O2/c1-26-15-10-6-5-9-13(15)21(20(26)27)14(11-22)18(23)28-19-16(21)17(24-25-19)12-7-3-2-4-8-12/h2-10H,23H2,1H3,(H,24,25).
What are the key properties of 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile?
6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile has a molecular weight of 369.38 g/mol, XLogP of 2.43, 1 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-1'-methyl-2'-oxo-3-phenylspiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-5-carbonitrile is sourced from PubChem (CID 3992081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).