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

C25H24N4O4 — CID 56927422

IUPACethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)C12C(=O)Nc1c(C)cc(C)cc12
InChIInChI=1S/C25H24N4O4/c1-5-32-23(30)19-21(26)33-22-18(15(4)28-29(22)16-9-7-6-8-10-16)25(19)17-12-13(2)11-14(3)20(17)27-24(25)31/h6-12H,5,26H2,1-4H3,(H,27,31)
InChIKeyZYACNYVPPSZDOC-UHFFFAOYSA-N
MW444.49 g/mol
LogP3.16
Rot. Bonds3

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

ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate (PubChem CID 56927422) has the molecular formula C25H24N4O4 and a molecular weight of 444.49 g/mol. Its IUPAC name is ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate.

Molecular Properties

Compound Nameethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate
PubChem CID56927422
Molecular FormulaC25H24N4O4
Molecular Weight444.49 g/mol
Exact Mass444.18
IUPAC Nameethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate
SMILESCCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)C12C(=O)Nc1c(C)cc(C)cc12
InChIInChI=1S/C25H24N4O4/c1-5-32-23(30)19-21(26)33-22-18(15(4)28-29(22)16-9-7-6-8-10-16)25(19)17-12-13(2)11-14(3)20(17)27-24(25)31/h6-12H,5,26H2,1-4H3,(H,27,31)
InChIKeyZYACNYVPPSZDOC-UHFFFAOYSA-N
XLogP3.16
TPSA108.47 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500444.49
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate?
The IUPAC name of ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate (CID 56927422) is ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate.
What is the SMILES notation for ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate?
The canonical SMILES for ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate is CCOC(=O)C1=C(N)Oc2c(c(C)nn2-c2ccccc2)C12C(=O)Nc1c(C)cc(C)cc12.
What is the InChIKey of ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate?
The InChIKey is ZYACNYVPPSZDOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O4/c1-5-32-23(30)19-21(26)33-22-18(15(4)28-29(22)16-9-7-6-8-10-16)25(19)17-12-13(2)11-14(3)20(17)27-24(25)31/h6-12H,5,26H2,1-4H3,(H,27,31).
What are the key properties of ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate?
ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate has a molecular weight of 444.49 g/mol, XLogP of 3.16, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6'-amino-3',5,7-trimethyl-2-oxo-1'-phenylspiro[1H-indole-3,4'-pyrano[3,2-d]pyrazole]-5'-carboxylate is sourced from PubChem (CID 56927422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).