methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate

C24H30N2O2 — CID 3009651

IUPACmethyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate
SMILESCOC(=O)[C@]1(C)CCC[C@]2(C)c3ccc4nc5c(nc4c3CCC12)CCCC5
InChIInChI=1S/C24H30N2O2/c1-23-13-6-14-24(2,22(27)28-3)20(23)12-9-15-16(23)10-11-19-21(15)26-18-8-5-4-7-17(18)25-19/h10-11,20H,4-9,12-14H2,1-3H3/t20?,23-,24-/m1/s1
InChIKeyXLWQFEOOOVSTOV-BPAKYRGESA-N
MW378.52 g/mol
LogP4.69
Rot. Bonds1

About methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate

methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate (PubChem CID 3009651) has the molecular formula C24H30N2O2 and a molecular weight of 378.52 g/mol. Its IUPAC name is methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate.

Molecular Properties

Compound Namemethyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate
PubChem CID3009651
Molecular FormulaC24H30N2O2
Molecular Weight378.52 g/mol
Exact Mass378.23
IUPAC Namemethyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate
SMILESCOC(=O)[C@]1(C)CCC[C@]2(C)c3ccc4nc5c(nc4c3CCC12)CCCC5
InChIInChI=1S/C24H30N2O2/c1-23-13-6-14-24(2,22(27)28-3)20(23)12-9-15-16(23)10-11-19-21(15)26-18-8-5-4-7-17(18)25-19/h10-11,20H,4-9,12-14H2,1-3H3/t20?,23-,24-/m1/s1
InChIKeyXLWQFEOOOVSTOV-BPAKYRGESA-N
XLogP4.69
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.52
LogP ≤ 54.69
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate?
The IUPAC name of methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate (CID 3009651) is methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate.
What is the SMILES notation for methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate?
The canonical SMILES for methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate is COC(=O)[C@]1(C)CCC[C@]2(C)c3ccc4nc5c(nc4c3CCC12)CCCC5.
What is the InChIKey of methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate?
The InChIKey is XLWQFEOOOVSTOV-BPAKYRGESA-N. The full InChI is InChI=1S/C24H30N2O2/c1-23-13-6-14-24(2,22(27)28-3)20(23)12-9-15-16(23)10-11-19-21(15)26-18-8-5-4-7-17(18)25-19/h10-11,20H,4-9,12-14H2,1-3H3/t20?,23-,24-/m1/s1.
What are the key properties of methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate?
methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate has a molecular weight of 378.52 g/mol, XLogP of 4.69, 1 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl (15S,19R)-15,19-dimethyl-3,10-diazapentacyclo[12.8.0.02,11.04,9.015,20]docosa-1(14),2(11),3,9,12-pentaene-19-carboxylate is sourced from PubChem (CID 3009651), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).