5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole

C17H18N4O3S — CID 142199899

IUPAC5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
SMILESCOc1ccc2c(c1)c(-c1cc3c(nc(S(C)(=O)=O)n3C)[nH]1)cn2C
InChIInChI=1S/C17H18N4O3S/c1-20-9-12(11-7-10(24-3)5-6-14(11)20)13-8-15-16(18-13)19-17(21(15)2)25(4,22)23/h5-9,18H,1-4H3
InChIKeyFXAIJPMGKPLNSQ-UHFFFAOYSA-N
MW358.42 g/mol
LogP2.47
Rot. Bonds3

About 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole

5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole (PubChem CID 142199899) has the molecular formula C17H18N4O3S and a molecular weight of 358.42 g/mol. Its IUPAC name is 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole.

Molecular Properties

Compound Name5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
PubChem CID142199899
Molecular FormulaC17H18N4O3S
Molecular Weight358.42 g/mol
Exact Mass358.11
IUPAC Name5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole
SMILESCOc1ccc2c(c1)c(-c1cc3c(nc(S(C)(=O)=O)n3C)[nH]1)cn2C
InChIInChI=1S/C17H18N4O3S/c1-20-9-12(11-7-10(24-3)5-6-14(11)20)13-8-15-16(18-13)19-17(21(15)2)25(4,22)23/h5-9,18H,1-4H3
InChIKeyFXAIJPMGKPLNSQ-UHFFFAOYSA-N
XLogP2.47
TPSA81.91 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.42
LogP ≤ 52.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

6-(5-methoxy-1-methylindol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-2-carbaldehyde
CID 123443949
4-(5-methoxy-1-methylindol-3-yl)-12-methyl-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58009972
4-(5-methoxy-1-methylindol-3-yl)-1,5,7,10-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382433
2-(5-methoxy-1-methylindol-3-yl)-N-(4-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-4-amine
CID 22477297
5-methoxy-1-methyl-3-(1H-pyrrol-2-yl)indole
CID 69300712
3-[4-(5-methoxy-1-methylindol-3-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaen-12-yl]propan-1-ol
CID 58382067
4-(5-methoxy-1-methylindol-3-yl)-12-(oxan-4-yl)-1,5,7,11-tetrazatricyclo[7.3.0.02,6]dodeca-2(6),3,7,9,11-pentaene
CID 58382139
5-methoxy-1-methyl-3-[(2-methylsulfonyl-1,4-dihydropyrrolo[2,3-d]imidazol-5-yl)methyl]indole
CID 70037660
5-(5-methoxy-1-methylindol-3-yl)-1-methylpyrazole-3-carboxylic acid
CID 115108277
4-(5-methoxy-1-methylindol-3-yl)-1H-pyrazolo[5,4-b]pyridine-6-carboxamide
CID 59805756
3-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]oxypropan-1-ol
CID 22477387
6-methoxy-1-methyl-3-(methylsulfonylmethyl)quinolin-4-one
CID 12807853

Frequently Asked Questions

What is the IUPAC name of 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole?
The IUPAC name of 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole (CID 142199899) is 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole.
What is the SMILES notation for 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole?
The canonical SMILES for 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole is COc1ccc2c(c1)c(-c1cc3c(nc(S(C)(=O)=O)n3C)[nH]1)cn2C.
What is the InChIKey of 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole?
The InChIKey is FXAIJPMGKPLNSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O3S/c1-20-9-12(11-7-10(24-3)5-6-14(11)20)13-8-15-16(18-13)19-17(21(15)2)25(4,22)23/h5-9,18H,1-4H3.
What are the key properties of 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole?
5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole has a molecular weight of 358.42 g/mol, XLogP of 2.47, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methoxy-1-methyl-3-(1-methyl-2-methylsulfonyl-4H-pyrrolo[2,3-d]imidazol-5-yl)indole is sourced from PubChem (CID 142199899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).