2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide

C14H13N3O2S — CID 11999377

IUPAC2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide
SMILESCOCC(=O)Nc1cc(-c2ccnc3[nH]ccc23)cs1
InChIInChI=1S/C14H13N3O2S/c1-19-7-12(18)17-13-6-9(8-20-13)10-2-4-15-14-11(10)3-5-16-14/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyPHAHKXGUDBAWDI-UHFFFAOYSA-N
MW287.34 g/mol
LogP2.88
Rot. Bonds4

About 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide

2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide (PubChem CID 11999377) has the molecular formula C14H13N3O2S and a molecular weight of 287.34 g/mol. Its IUPAC name is 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide
PubChem CID11999377
Molecular FormulaC14H13N3O2S
Molecular Weight287.34 g/mol
Exact Mass287.07
IUPAC Name2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide
SMILESCOCC(=O)Nc1cc(-c2ccnc3[nH]ccc23)cs1
InChIInChI=1S/C14H13N3O2S/c1-19-7-12(18)17-13-6-9(8-20-13)10-2-4-15-14-11(10)3-5-16-14/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18)
InChIKeyPHAHKXGUDBAWDI-UHFFFAOYSA-N
XLogP2.88
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.34
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide?
The IUPAC name of 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide (CID 11999377) is 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide.
What is the SMILES notation for 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide?
The canonical SMILES for 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide is COCC(=O)Nc1cc(-c2ccnc3[nH]ccc23)cs1.
What is the InChIKey of 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide?
The InChIKey is PHAHKXGUDBAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O2S/c1-19-7-12(18)17-13-6-9(8-20-13)10-2-4-15-14-11(10)3-5-16-14/h2-6,8H,7H2,1H3,(H,15,16)(H,17,18).
What are the key properties of 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide?
2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide has a molecular weight of 287.34 g/mol, XLogP of 2.88, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[4-(1H-pyrrolo[2,3-b]pyridin-4-yl)thiophen-2-yl]acetamide is sourced from PubChem (CID 11999377), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).