methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate

C16H14N4O4 — CID 3520149

IUPACmethyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2n[nH]c(C)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C16H14N4O4/c1-7-10-13(20-19-7)24-12(17)11(14(21)23-2)16(10)8-5-3-4-6-9(8)18-15(16)22/h3-6H,17H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyIJNUVLGKICWNEU-UHFFFAOYSA-N
MW326.31 g/mol
LogP0.69
Rot. Bonds1

About methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate

methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate (PubChem CID 3520149) has the molecular formula C16H14N4O4 and a molecular weight of 326.31 g/mol. Its IUPAC name is methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate.

Molecular Properties

Compound Namemethyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
PubChem CID3520149
Molecular FormulaC16H14N4O4
Molecular Weight326.31 g/mol
Exact Mass326.10
IUPAC Namemethyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
SMILESCOC(=O)C1=C(N)Oc2n[nH]c(C)c2C12C(=O)Nc1ccccc12
InChIInChI=1S/C16H14N4O4/c1-7-10-13(20-19-7)24-12(17)11(14(21)23-2)16(10)8-5-3-4-6-9(8)18-15(16)22/h3-6H,17H2,1-2H3,(H,18,22)(H,19,20)
InChIKeyIJNUVLGKICWNEU-UHFFFAOYSA-N
XLogP0.69
TPSA119.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.31
LogP ≤ 50.69
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate?
The IUPAC name of methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate (CID 3520149) is methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate.
What is the SMILES notation for methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate?
The canonical SMILES for methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate is COC(=O)C1=C(N)Oc2n[nH]c(C)c2C12C(=O)Nc1ccccc12.
What is the InChIKey of methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate?
The InChIKey is IJNUVLGKICWNEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N4O4/c1-7-10-13(20-19-7)24-12(17)11(14(21)23-2)16(10)8-5-3-4-6-9(8)18-15(16)22/h3-6H,17H2,1-2H3,(H,18,22)(H,19,20).
What are the key properties of methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate?
methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate has a molecular weight of 326.31 g/mol, XLogP of 0.69, 1 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate is sourced from PubChem (CID 3520149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).