1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole

C26H24FN3O2S — CID 157308031

IUPAC1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole
SMILESCC1=NCc2cc3c(-c4ccc(S(C)(=O)=O)nc4)c(C(C)C)n(-c4ccc(F)cc4)c3cc21
InChIInChI=1S/C26H24FN3O2S/c1-15(2)26-25(17-5-10-24(29-13-17)33(4,31)32)22-11-18-14-28-16(3)21(18)12-23(22)30(26)20-8-6-19(27)7-9-20/h5-13,15H,14H2,1-4H3
InChIKeyBCSJYHHIDRTTSV-UHFFFAOYSA-N
MW461.56 g/mol
LogP5.68
Rot. Bonds4

About 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole

1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole (PubChem CID 157308031) has the molecular formula C26H24FN3O2S and a molecular weight of 461.56 g/mol. Its IUPAC name is 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole.

Molecular Properties

Compound Name1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole
PubChem CID157308031
Molecular FormulaC26H24FN3O2S
Molecular Weight461.56 g/mol
Exact Mass461.16
IUPAC Name1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole
SMILESCC1=NCc2cc3c(-c4ccc(S(C)(=O)=O)nc4)c(C(C)C)n(-c4ccc(F)cc4)c3cc21
InChIInChI=1S/C26H24FN3O2S/c1-15(2)26-25(17-5-10-24(29-13-17)33(4,31)32)22-11-18-14-28-16(3)21(18)12-23(22)30(26)20-8-6-19(27)7-9-20/h5-13,15H,14H2,1-4H3
InChIKeyBCSJYHHIDRTTSV-UHFFFAOYSA-N
XLogP5.68
TPSA64.32 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500461.56
LogP ≤ 55.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole?
The IUPAC name of 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole (CID 157308031) is 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole.
What is the SMILES notation for 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole?
The canonical SMILES for 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole is CC1=NCc2cc3c(-c4ccc(S(C)(=O)=O)nc4)c(C(C)C)n(-c4ccc(F)cc4)c3cc21.
What is the InChIKey of 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole?
The InChIKey is BCSJYHHIDRTTSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24FN3O2S/c1-15(2)26-25(17-5-10-24(29-13-17)33(4,31)32)22-11-18-14-28-16(3)21(18)12-23(22)30(26)20-8-6-19(27)7-9-20/h5-13,15H,14H2,1-4H3.
What are the key properties of 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole?
1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole has a molecular weight of 461.56 g/mol, XLogP of 5.68, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-fluorophenyl)-7-methyl-3-(6-methylsulfonyl-3-pyridinyl)-2-propan-2-yl-5H-pyrrolo[3,4-f]indole is sourced from PubChem (CID 157308031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).