3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene

C24H25N5O3S — CID 166498264

IUPAC3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene
SMILESCc1c(-c2cccc3c2ccn3S(C)(=O)=O)c2c(c3c1-n1c(C)nnc1C(C)(C)N3)CCO2
InChIInChI=1S/C24H25N5O3S/c1-13-19(16-7-6-8-18-15(16)9-11-28(18)33(5,30)31)22-17(10-12-32-22)20-21(13)29-14(2)26-27-23(29)24(3,4)25-20/h6-9,11,25H,10,12H2,1-5H3
InChIKeyNGFSQPWOFXQDHM-UHFFFAOYSA-N
MW463.56 g/mol
LogP3.91
Rot. Bonds2

About 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene

3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene (PubChem CID 166498264) has the molecular formula C24H25N5O3S and a molecular weight of 463.56 g/mol. Its IUPAC name is 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene.

Molecular Properties

Compound Name3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene
PubChem CID166498264
Molecular FormulaC24H25N5O3S
Molecular Weight463.56 g/mol
Exact Mass463.17
IUPAC Name3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene
SMILESCc1c(-c2cccc3c2ccn3S(C)(=O)=O)c2c(c3c1-n1c(C)nnc1C(C)(C)N3)CCO2
InChIInChI=1S/C24H25N5O3S/c1-13-19(16-7-6-8-18-15(16)9-11-28(18)33(5,30)31)22-17(10-12-32-22)20-21(13)29-14(2)26-27-23(29)24(3,4)25-20/h6-9,11,25H,10,12H2,1-5H3
InChIKeyNGFSQPWOFXQDHM-UHFFFAOYSA-N
XLogP3.91
TPSA91.04 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.56
LogP ≤ 53.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene with MolForge

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Frequently Asked Questions

What is the IUPAC name of 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene?
The IUPAC name of 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene (CID 166498264) is 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene.
What is the SMILES notation for 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene?
The canonical SMILES for 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene is Cc1c(-c2cccc3c2ccn3S(C)(=O)=O)c2c(c3c1-n1c(C)nnc1C(C)(C)N3)CCO2.
What is the InChIKey of 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene?
The InChIKey is NGFSQPWOFXQDHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S/c1-13-19(16-7-6-8-18-15(16)9-11-28(18)33(5,30)31)22-17(10-12-32-22)20-21(13)29-14(2)26-27-23(29)24(3,4)25-20/h6-9,11,25H,10,12H2,1-5H3.
What are the key properties of 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene?
3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene has a molecular weight of 463.56 g/mol, XLogP of 3.91, 2 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3,7,7,16-tetramethyl-15-(1-methylsulfonylindol-4-yl)-13-oxa-2,4,5,8-tetrazatetracyclo[7.7.0.02,6.010,14]hexadeca-1(9),3,5,10(14),15-pentaene is sourced from PubChem (CID 166498264), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).