dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate

C18H16N4O7 — CID 122385392

IUPACdimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate
SMILESCOC(=O)C1=C(N)Oc2n[nH]c(C(=O)OC)c2C12C(=O)Nc1ccc(OC)cc12
InChIInChI=1S/C18H16N4O7/c1-26-7-4-5-9-8(6-7)18(17(25)20-9)10-12(16(24)28-3)21-22-14(10)29-13(19)11(18)15(23)27-2/h4-6H,19H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyMAIAFUGZQNAAQH-UHFFFAOYSA-N
MW400.35 g/mol
LogP0.18
Rot. Bonds3

About dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate

dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate (PubChem CID 122385392) has the molecular formula C18H16N4O7 and a molecular weight of 400.35 g/mol. Its IUPAC name is dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate.

Molecular Properties

Compound Namedimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate
PubChem CID122385392
Molecular FormulaC18H16N4O7
Molecular Weight400.35 g/mol
Exact Mass400.10
IUPAC Namedimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate
SMILESCOC(=O)C1=C(N)Oc2n[nH]c(C(=O)OC)c2C12C(=O)Nc1ccc(OC)cc12
InChIInChI=1S/C18H16N4O7/c1-26-7-4-5-9-8(6-7)18(17(25)20-9)10-12(16(24)28-3)21-22-14(10)29-13(19)11(18)15(23)27-2/h4-6H,19H2,1-3H3,(H,20,25)(H,21,22)
InChIKeyMAIAFUGZQNAAQH-UHFFFAOYSA-N
XLogP0.18
TPSA154.86 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.35
LogP ≤ 50.18
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

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

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Launch Full Analysis

Related Compounds

methyl 6'-amino-3'-methyl-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
CID 3520149
ethyl 6'-amino-5-chloro-2-oxo-3'-(trifluoromethyl)spiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-5'-carboxylate
CID 102105067
ethyl 6'-amino-5-chloro-5'-cyano-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3'-carboxylate
CID 102498737
ethyl (3S)-2'-amino-5-methoxy-2,5'-dioxospiro[1H-indole-3,4'-7,8-dihydro-6H-chromene]-3'-carboxylate
CID 7579488
methyl 6-amino-5-cyano-1'-methyl-2'-oxospiro[2H-pyrano[2,3-c]pyrazole-4,3'-indole]-3-carboxylate
CID 102498742
methyl 5'-acetyl-2'-amino-5-bromo-2-oxo-6'-phenylspiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 3125777
methyl 10'-amino-5-nitro-2,7'-dioxospiro[1H-indole-3,8'-phenaleno[1,2-b]pyran]-9'-carboxylate
CID 71654332
methyl (3R)-6'-amino-5'-cyano-2',5-dimethyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 684935
methyl (3S)-2'-amino-6'-ethyl-7'-methyl-2,5'-dioxospiro[1H-indole-3,4'-pyrano[3,2-c]pyridine]-3'-carboxylate
CID 7385076
methyl (3R)-6'-amino-5-bromo-5'-cyano-2'-methyl-2-oxospiro[1H-indole-3,4'-pyran]-3'-carboxylate
CID 1035479
5-methoxy-3,3-bis(4-sulfanyloxyphenyl)-1H-indol-2-one
CID 57033587
methyl (3R)-2'-amino-7',7'-dimethyl-2,6'-dioxospiro[1H-indole-3,4'-5,8-dihydrochromene]-3'-carboxylate
CID 7218255

Frequently Asked Questions

What is the IUPAC name of dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate?
The IUPAC name of dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate (CID 122385392) is dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate.
What is the SMILES notation for dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate?
The canonical SMILES for dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate is COC(=O)C1=C(N)Oc2n[nH]c(C(=O)OC)c2C12C(=O)Nc1ccc(OC)cc12.
What is the InChIKey of dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate?
The InChIKey is MAIAFUGZQNAAQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O7/c1-26-7-4-5-9-8(6-7)18(17(25)20-9)10-12(16(24)28-3)21-22-14(10)29-13(19)11(18)15(23)27-2/h4-6H,19H2,1-3H3,(H,20,25)(H,21,22).
What are the key properties of dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate?
dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate has a molecular weight of 400.35 g/mol, XLogP of 0.18, 3 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for dimethyl 6'-amino-5-methoxy-2-oxospiro[1H-indole-3,4'-2H-pyrano[2,3-c]pyrazole]-3',5'-dicarboxylate is sourced from PubChem (CID 122385392), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).