(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

C23H26N2O2S — CID 53357513

IUPAC(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2cc(OC)ccc21
InChIInChI=1S/C23H26N2O2S/c1-5-10-24-15(3)21(18-14-17(27-4)7-8-19(18)24)22(26)20-13-16-9-12-28-23(16)25(20)11-6-2/h7-9,12-14H,5-6,10-11H2,1-4H3
InChIKeyFJVCTCJIQFEHLK-UHFFFAOYSA-N
MW394.54 g/mol
LogP6.03
Rot. Bonds7

About (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone

(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (PubChem CID 53357513) has the molecular formula C23H26N2O2S and a molecular weight of 394.54 g/mol. Its IUPAC name is (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.

Molecular Properties

Compound Name(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
PubChem CID53357513
Molecular FormulaC23H26N2O2S
Molecular Weight394.54 g/mol
Exact Mass394.17
IUPAC Name(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
SMILESCCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2cc(OC)ccc21
InChIInChI=1S/C23H26N2O2S/c1-5-10-24-15(3)21(18-14-17(27-4)7-8-19(18)24)22(26)20-13-16-9-12-28-23(16)25(20)11-6-2/h7-9,12-14H,5-6,10-11H2,1-4H3
InChIKeyFJVCTCJIQFEHLK-UHFFFAOYSA-N
XLogP6.03
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.54
LogP ≤ 56.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The IUPAC name of (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone (CID 53357513) is (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone.
What is the SMILES notation for (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The canonical SMILES for (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is CCCn1c(C)c(C(=O)c2cc3ccsc3n2CCC)c2cc(OC)ccc21.
What is the InChIKey of (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
The InChIKey is FJVCTCJIQFEHLK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N2O2S/c1-5-10-24-15(3)21(18-14-17(27-4)7-8-19(18)24)22(26)20-13-16-9-12-28-23(16)25(20)11-6-2/h7-9,12-14H,5-6,10-11H2,1-4H3.
What are the key properties of (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone?
(5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone has a molecular weight of 394.54 g/mol, XLogP of 6.03, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-methoxy-2-methyl-1-propylindol-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone is sourced from PubChem (CID 53357513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).