11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

C25H21N5O3S — CID 123274304

IUPAC11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCOc1ccc2[nH]cc(-c3cc4c5[nH]ncc5c(C)nc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C25H21N5O3S/c1-14-4-7-17(8-5-14)34(31,32)30-23(21-12-26-22-9-6-16(33-3)10-18(21)22)11-19-24-20(13-27-29-24)15(2)28-25(19)30/h4-13,26H,1-3H3,(H,27,29)
InChIKeyQQVPPVSOQHWVJN-UHFFFAOYSA-N
MW471.54 g/mol
LogP4.92
Rot. Bonds4

About 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene

11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (PubChem CID 123274304) has the molecular formula C25H21N5O3S and a molecular weight of 471.54 g/mol. Its IUPAC name is 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.

Molecular Properties

Compound Name11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
PubChem CID123274304
Molecular FormulaC25H21N5O3S
Molecular Weight471.54 g/mol
Exact Mass471.14
IUPAC Name11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCOc1ccc2[nH]cc(-c3cc4c5[nH]ncc5c(C)nc4n3S(=O)(=O)c3ccc(C)cc3)c2c1
InChIInChI=1S/C25H21N5O3S/c1-14-4-7-17(8-5-14)34(31,32)30-23(21-12-26-22-9-6-16(33-3)10-18(21)22)11-19-24-20(13-27-29-24)15(2)28-25(19)30/h4-13,26H,1-3H3,(H,27,29)
InChIKeyQQVPPVSOQHWVJN-UHFFFAOYSA-N
XLogP4.92
TPSA105.66 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.54
LogP ≤ 54.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene with MolForge

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Related Compounds

N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-5-yl]phenyl]methanesulfonamide
CID 3233232
6-(1H-indazol-4-yl)-1-methyl-4-(4-(methylsulfonyl)phenoxy)-1H-pyrazolo[3,4-b]pyridine
CID 46220225
4-[5-(5-methoxy-1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]pyrimidin-2-amine
CID 129206869
4-({4-amino-6-[(1H-indol-5-yl)oxy]-1,3,5-triazin-2-yl}amino)benzene-1-sulfonamide
CID 155289126
N-[2-(5-methoxy-1H-indol-3-yl)ethyl]-2-(3-methoxyphenyl)pyrimidin-4-amine
CID 3233922
N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]quinazolin-2-yl]phenyl]methanesulfonamide
CID 3234224
N-[3-[4-[2-(5-methoxy-1H-indol-3-yl)ethylamino]pyrimidin-2-yl]phenyl]methanesulfonamide
CID 3234727
2-(5-methoxy-1H-indol-3-yl)-N-[(6-pyrazol-1-yl-2-pyridinyl)methyl]ethanamine
CID 10736426
5-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-1H-imidazol-2-amine;hydrochloride
CID 155510927
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-1H-imidazo[1,2-a]pyrimidin-4-ium bromide
CID 155515415
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N-(2,2-difluoroethyl)-5-methyl-1H-imidazol-2-amine
CID 155523121
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-1H-imidazo[1,2-a]pyridin-4-ium bromide
CID 155524884

Frequently Asked Questions

What is the IUPAC name of 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The IUPAC name of 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (CID 123274304) is 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene.
What is the SMILES notation for 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The canonical SMILES for 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is COc1ccc2[nH]cc(-c3cc4c5[nH]ncc5c(C)nc4n3S(=O)(=O)c3ccc(C)cc3)c2c1.
What is the InChIKey of 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
The InChIKey is QQVPPVSOQHWVJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N5O3S/c1-14-4-7-17(8-5-14)34(31,32)30-23(21-12-26-22-9-6-16(33-3)10-18(21)22)11-19-24-20(13-27-29-24)15(2)28-25(19)30/h4-13,26H,1-3H3,(H,27,29).
What are the key properties of 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene?
11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene has a molecular weight of 471.54 g/mol, XLogP of 4.92, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-methoxy-1H-indol-3-yl)-7-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is sourced from PubChem (CID 123274304), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).