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

C25H22N6O3S — CID 58382046

IUPAC11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCOc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)nn2C
InChIInChI=1S/C25H22N6O3S/c1-15-5-8-18(9-6-15)35(32,33)31-22(12-20-24-16(13-26-25(20)31)14-27-30(24)3)23-19-11-17(34-4)7-10-21(19)29(2)28-23/h5-14H,1-4H3
InChIKeyPLDLCKHMSAQCNA-UHFFFAOYSA-N
MW486.56 g/mol
LogP4.03
Rot. Bonds4

About 11-(5-methoxy-1-methylindazol-3-yl)-3-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-1-methylindazol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (PubChem CID 58382046) has the molecular formula C25H22N6O3S and a molecular weight of 486.56 g/mol. Its IUPAC name is 11-(5-methoxy-1-methylindazol-3-yl)-3-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-1-methylindazol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
PubChem CID58382046
Molecular FormulaC25H22N6O3S
Molecular Weight486.56 g/mol
Exact Mass486.15
IUPAC Name11-(5-methoxy-1-methylindazol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene
SMILESCOc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)nn2C
InChIInChI=1S/C25H22N6O3S/c1-15-5-8-18(9-6-15)35(32,33)31-22(12-20-24-16(13-26-25(20)31)14-27-30(24)3)23-19-11-17(34-4)7-10-21(19)29(2)28-23/h5-14H,1-4H3
InChIKeyPLDLCKHMSAQCNA-UHFFFAOYSA-N
XLogP4.03
TPSA96.83 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.56
LogP ≤ 54.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 11-(5-methoxy-1-methylindazol-3-yl)-3-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

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N-[2-(dimethylamino)ethyl]-4-[(1E)-{2-[1-(3-methoxyphenyl)-1H-pyrazolo[3,4-d]pyrimidin-4-yl]hydrazin-1-ylidene}methyl]benzene-1-sulfonamide
CID 91895701
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
2-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-1H-imidazo[1,2-a]pyridin-4-ium bromide
CID 155524884
5-[1-(Benzenesulfonyl)-5-methoxyindol-3-yl]-1-(2,2-difluoroethyl)-4-methylimidazol-2-amine
CID 155530285
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-ethyl-1H-imidazol-2-amine;hydrochloride
CID 155540795
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-N-(2-phenylethyl)-1H-imidazol-2-amine
CID 155541547
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-N-benzyl-5-methyl-1H-imidazol-2-amine
CID 155542237
4-[1-(benzenesulfonyl)-5-methoxyindol-3-yl]-5-methyl-1H-imidazol-2-amine;hydrochloride
CID 155560942
2-[1-(Benzenesulfonyl)-5-methoxyindol-3-yl]-3-methyl-5,6,7,8-tetrahydroimidazo[1,2-a]pyrimidine;hydrochloride
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Frequently Asked Questions

What is the IUPAC name of 11-(5-methoxy-1-methylindazol-3-yl)-3-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-1-methylindazol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene (CID 58382046) is 11-(5-methoxy-1-methylindazol-3-yl)-3-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-1-methylindazol-3-yl)-3-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-1-methylindazol-3-yl)-3-methyl-10-(4-methylphenyl)sulfonyl-3,4,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaene is COc1ccc2c(c1)c(-c1cc3c4c(cnc3n1S(=O)(=O)c1ccc(C)cc1)cnn4C)nn2C.
What is the InChIKey of 11-(5-methoxy-1-methylindazol-3-yl)-3-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 PLDLCKHMSAQCNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N6O3S/c1-15-5-8-18(9-6-15)35(32,33)31-22(12-20-24-16(13-26-25(20)31)14-27-30(24)3)23-19-11-17(34-4)7-10-21(19)29(2)28-23/h5-14H,1-4H3.
What are the key properties of 11-(5-methoxy-1-methylindazol-3-yl)-3-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-1-methylindazol-3-yl)-3-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 486.56 g/mol, XLogP of 4.03, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 11-(5-methoxy-1-methylindazol-3-yl)-3-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 58382046), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).