methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

C23H30N2O6 — CID 3083964

IUPACmethyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
SMILESCOC(=O)[C@H]1COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)c(OC)cc54)C3CC21
InChIInChI=1S/C23H30N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,24,27)/t12?,13?,14?,15-,20?,23?/m0/s1
InChIKeyRZTBBIIHQWIBBU-CATLCIQJSA-N
MW430.50 g/mol
LogP1.81
Rot. Bonds3

About methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate

methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate (PubChem CID 3083964) has the molecular formula C23H30N2O6 and a molecular weight of 430.50 g/mol. Its IUPAC name is methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.

Molecular Properties

Compound Namemethyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
PubChem CID3083964
Molecular FormulaC23H30N2O6
Molecular Weight430.50 g/mol
Exact Mass430.21
IUPAC Namemethyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate
SMILESCOC(=O)[C@H]1COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)c(OC)cc54)C3CC21
InChIInChI=1S/C23H30N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,24,27)/t12?,13?,14?,15-,20?,23?/m0/s1
InChIKeyRZTBBIIHQWIBBU-CATLCIQJSA-N
XLogP1.81
TPSA86.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.50
LogP ≤ 51.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate?
The IUPAC name of methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate (CID 3083964) is methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate.
What is the SMILES notation for methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate?
The canonical SMILES for methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate is COC(=O)[C@H]1COC(C)C2CN3CCC4(C(=O)Nc5cc(OC)c(OC)cc54)C3CC21.
What is the InChIKey of methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate?
The InChIKey is RZTBBIIHQWIBBU-CATLCIQJSA-N. The full InChI is InChI=1S/C23H30N2O6/c1-12-14-10-25-6-5-23(20(25)7-13(14)15(11-31-12)21(26)30-4)16-8-18(28-2)19(29-3)9-17(16)24-22(23)27/h8-9,12-15,20H,5-7,10-11H2,1-4H3,(H,24,27)/t12?,13?,14?,15-,20?,23?/m0/s1.
What are the key properties of methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate?
methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate has a molecular weight of 430.50 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (4R)-5',6'-dimethoxy-1-methyl-2'-oxospiro[1,3,4,4a,5,5a,7,8,10,10a-decahydropyrano[3,4-f]indolizine-6,3'-1H-indole]-4-carboxylate is sourced from PubChem (CID 3083964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).