7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

C24H25N3O3S — CID 58258798

IUPAC7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCOc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1
InChIInChI=1S/C24H25N3O3S/c1-26-13-22(16-6-4-5-7-19(16)26)31(28,29)15-11-17-23-18-9-8-14(25-18)10-20(23)27(2)24(17)21(12-15)30-3/h4-7,11-14,18,25H,8-10H2,1-3H3
InChIKeyDADFLUITEZWZLO-UHFFFAOYSA-N
MW435.55 g/mol
LogP3.86
Rot. Bonds3

About 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene

7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (PubChem CID 58258798) has the molecular formula C24H25N3O3S and a molecular weight of 435.55 g/mol. Its IUPAC name is 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.

Molecular Properties

Compound Name7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
PubChem CID58258798
Molecular FormulaC24H25N3O3S
Molecular Weight435.55 g/mol
Exact Mass435.16
IUPAC Name7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene
SMILESCOc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1
InChIInChI=1S/C24H25N3O3S/c1-26-13-22(16-6-4-5-7-19(16)26)31(28,29)15-11-17-23-18-9-8-14(25-18)10-20(23)27(2)24(17)21(12-15)30-3/h4-7,11-14,18,25H,8-10H2,1-3H3
InChIKeyDADFLUITEZWZLO-UHFFFAOYSA-N
XLogP3.86
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.55
LogP ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The IUPAC name of 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene (CID 58258798) is 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene.
What is the SMILES notation for 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The canonical SMILES for 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is COc1cc(S(=O)(=O)c2cn(C)c3ccccc23)cc2c3c(n(C)c12)CC1CCC3N1.
What is the InChIKey of 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
The InChIKey is DADFLUITEZWZLO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N3O3S/c1-26-13-22(16-6-4-5-7-19(16)26)31(28,29)15-11-17-23-18-9-8-14(25-18)10-20(23)27(2)24(17)21(12-15)30-3/h4-7,11-14,18,25H,8-10H2,1-3H3.
What are the key properties of 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene?
7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene has a molecular weight of 435.55 g/mol, XLogP of 3.86, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7-methoxy-9-methyl-5-(1-methylindol-3-yl)sulfonyl-9,15-diazatetracyclo[10.2.1.02,10.03,8]pentadeca-2(10),3(8),4,6-tetraene is sourced from PubChem (CID 58258798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).