(5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione

C19H10N2O2S2 — CID 166703958

IUPAC(5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione
SMILESO=C1/C(=C\c2ccc(-n3ccc4cccnc43)s2)C(=O)c2sccc21
InChIInChI=1S/C19H10N2O2S2/c22-16-13-6-9-24-18(13)17(23)14(16)10-12-3-4-15(25-12)21-8-5-11-2-1-7-20-19(11)21/h1-10H/b14-10+
InChIKeyXWYFHYBVYGFPJA-GXDHUFHOSA-N
MW362.44 g/mol
LogP4.61
Rot. Bonds2

About (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione

(5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione (PubChem CID 166703958) has the molecular formula C19H10N2O2S2 and a molecular weight of 362.44 g/mol. Its IUPAC name is (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione.

Molecular Properties

Compound Name(5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione
PubChem CID166703958
Molecular FormulaC19H10N2O2S2
Molecular Weight362.44 g/mol
Exact Mass362.02
IUPAC Name(5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione
SMILESO=C1/C(=C\c2ccc(-n3ccc4cccnc43)s2)C(=O)c2sccc21
InChIInChI=1S/C19H10N2O2S2/c22-16-13-6-9-24-18(13)17(23)14(16)10-12-3-4-15(25-12)21-8-5-11-2-1-7-20-19(11)21/h1-10H/b14-10+
InChIKeyXWYFHYBVYGFPJA-GXDHUFHOSA-N
XLogP4.61
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.44
LogP ≤ 54.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Michael_acceptor_1', 'substructure': 'N/A'}, {'alert_name': 'Michael_acceptor_4', 'substructure': 'N/A'}

Analyze (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3-Methylphenyl)-(3-thiophen-3-ylpyrrolo[2,3-b]pyridin-1-yl)methanone
CID 145984640
[3-oxo-3-(1-thiophen-2-ylpyrrolo[2,3-b]pyridin-3-yl)propyl] N-(pyridin-3-ylmethyl)carbamodithioate
CID 155557507
3-methyl-N-[2-(1-methyl-1H-pyrrolo[2,3-b]pyridin-3-yl)ethyl]-2-thiophenecarboxamide
CID 53145024
N-(2-{1-Methyl-1H-pyrrolo[2,3-B]pyridin-3-YL}ethyl)thiophene-2-carboxamide
CID 53145071
4-[3-[3-(4-Methylphenyl)-3-oxo-1-thiophen-2-ylpropyl]pyrrolo[2,3-b]pyridin-1-yl]butan-2-one
CID 11647359
(6-Ethylthieno[2,3-b]pyrrol-5-yl)-(1-propylpyrrolo[2,3-b]pyridin-3-yl)methanone
CID 53357639
1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-3-yl]butan-1-one
CID 57633080
1-[4-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]butan-1-one
CID 57633148
1-[5-(1H-pyrrolo[2,3-b]pyridin-3-yl)thiophen-2-yl]butan-1-one
CID 57633219
33-Thia-12,14,25,27-tetrazaheptacyclo[23.6.1.17,14.118,21.02,6.08,13.026,31]tetratriaconta-1(32),2(6),7(34),8(13),9,11,18,20,26(31),27,29-undecaene-3,5-dione
CID 58369776
(1-Propylpyrrolo[2,3-b]pyridin-3-yl)-(6-propylthieno[2,3-b]pyrrol-5-yl)methanone
CID 68265876
3-Methyl-4-[1-(3-thiophen-2-ylpropyl)pyrrolo[2,3-b]pyridin-3-yl]pyrrole-2,5-dione
CID 71120203

Frequently Asked Questions

What is the IUPAC name of (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione?
The IUPAC name of (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione (CID 166703958) is (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione.
What is the SMILES notation for (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione?
The canonical SMILES for (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione is O=C1/C(=C\c2ccc(-n3ccc4cccnc43)s2)C(=O)c2sccc21.
What is the InChIKey of (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione?
The InChIKey is XWYFHYBVYGFPJA-GXDHUFHOSA-N. The full InChI is InChI=1S/C19H10N2O2S2/c22-16-13-6-9-24-18(13)17(23)14(16)10-12-3-4-15(25-12)21-8-5-11-2-1-7-20-19(11)21/h1-10H/b14-10+.
What are the key properties of (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione?
(5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione has a molecular weight of 362.44 g/mol, XLogP of 4.61, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (5E)-5-[(5-pyrrolo[2,3-b]pyridin-1-ylthiophen-2-yl)methylidene]cyclopenta[b]thiophene-4,6-dione is sourced from PubChem (CID 166703958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).