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

C23H19N5O2 — CID 2961171

IUPAC6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCCc1cccc2c1NC(=O)C21C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C23H19N5O2/c1-3-14-8-7-11-16-19(14)26-22(29)23(16)17(12-24)20(25)30-21-18(23)13(2)27-28(21)15-9-5-4-6-10-15/h4-11H,3,25H2,1-2H3,(H,26,29)
InChIKeyNXCXWJFNOAYNAY-UHFFFAOYSA-N
MW397.44 g/mol
LogP3.07
Rot. Bonds2

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

6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (PubChem CID 2961171) has the molecular formula C23H19N5O2 and a molecular weight of 397.44 g/mol. Its IUPAC name is 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.

Molecular Properties

Compound Name6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
PubChem CID2961171
Molecular FormulaC23H19N5O2
Molecular Weight397.44 g/mol
Exact Mass397.15
IUPAC Name6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile
SMILESCCc1cccc2c1NC(=O)C21C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1
InChIInChI=1S/C23H19N5O2/c1-3-14-8-7-11-16-19(14)26-22(29)23(16)17(12-24)20(25)30-21-18(23)13(2)27-28(21)15-9-5-4-6-10-15/h4-11H,3,25H2,1-2H3,(H,26,29)
InChIKeyNXCXWJFNOAYNAY-UHFFFAOYSA-N
XLogP3.07
TPSA105.96 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.44
LogP ≤ 53.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The IUPAC name of 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile (CID 2961171) is 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile.
What is the SMILES notation for 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The canonical SMILES for 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is CCc1cccc2c1NC(=O)C21C(C#N)=C(N)Oc2c1c(C)nn2-c1ccccc1.
What is the InChIKey of 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
The InChIKey is NXCXWJFNOAYNAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19N5O2/c1-3-14-8-7-11-16-19(14)26-22(29)23(16)17(12-24)20(25)30-21-18(23)13(2)27-28(21)15-9-5-4-6-10-15/h4-11H,3,25H2,1-2H3,(H,26,29).
What are the key properties of 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile?
6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile has a molecular weight of 397.44 g/mol, XLogP of 3.07, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6'-amino-7-ethyl-3'-methyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carbonitrile is sourced from PubChem (CID 2961171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).