1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone

C20H17N3OS — CID 90041935

IUPAC1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(C)c2ccc(-c3ccc(-c4cncc(N)c4)s3)cc12
InChIInChI=1S/C20H17N3OS/c1-12(24)17-11-23(2)18-4-3-13(8-16(17)18)19-5-6-20(25-19)14-7-15(21)10-22-9-14/h3-11H,21H2,1-2H3
InChIKeyUIDCRFAFOKZLLP-UHFFFAOYSA-N
MW347.44 g/mol
LogP4.75
Rot. Bonds3

About 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone

1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone (PubChem CID 90041935) has the molecular formula C20H17N3OS and a molecular weight of 347.44 g/mol. Its IUPAC name is 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone.

Molecular Properties

Compound Name1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone
PubChem CID90041935
Molecular FormulaC20H17N3OS
Molecular Weight347.44 g/mol
Exact Mass347.11
IUPAC Name1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone
SMILESCC(=O)c1cn(C)c2ccc(-c3ccc(-c4cncc(N)c4)s3)cc12
InChIInChI=1S/C20H17N3OS/c1-12(24)17-11-23(2)18-4-3-13(8-16(17)18)19-5-6-20(25-19)14-7-15(21)10-22-9-14/h3-11H,21H2,1-2H3
InChIKeyUIDCRFAFOKZLLP-UHFFFAOYSA-N
XLogP4.75
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.44
LogP ≤ 54.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone?
The IUPAC name of 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone (CID 90041935) is 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone.
What is the SMILES notation for 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone?
The canonical SMILES for 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone is CC(=O)c1cn(C)c2ccc(-c3ccc(-c4cncc(N)c4)s3)cc12.
What is the InChIKey of 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone?
The InChIKey is UIDCRFAFOKZLLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3OS/c1-12(24)17-11-23(2)18-4-3-13(8-16(17)18)19-5-6-20(25-19)14-7-15(21)10-22-9-14/h3-11H,21H2,1-2H3.
What are the key properties of 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone?
1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone has a molecular weight of 347.44 g/mol, XLogP of 4.75, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-[5-(5-amino-3-pyridinyl)thiophen-2-yl]-1-methylindol-3-yl]ethanone is sourced from PubChem (CID 90041935), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).