2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine

C21H13N4OS+ — CID 123396145

IUPAC2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine
SMILESc1cc2cc(-c3cc4cc(-[n+]5ccc6cc[nH]c6c5)sc4cn3)oc2cn1
InChIInChI=1S/C21H12N4OS/c1-4-22-10-19-14(1)8-18(26-19)16-7-15-9-21(27-20(15)11-24-16)25-6-3-13-2-5-23-17(13)12-25/h1-12H/p+1
InChIKeyUKKVMTLRAFFBMZ-UHFFFAOYSA-O
MW369.43 g/mol
LogP4.86
Rot. Bonds2

About 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine

2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine (PubChem CID 123396145) has the molecular formula C21H13N4OS+ and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine.

Molecular Properties

Compound Name2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine
PubChem CID123396145
Molecular FormulaC21H13N4OS+
Molecular Weight369.43 g/mol
Exact Mass369.08
IUPAC Name2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine
SMILESc1cc2cc(-c3cc4cc(-[n+]5ccc6cc[nH]c6c5)sc4cn3)oc2cn1
InChIInChI=1S/C21H12N4OS/c1-4-22-10-19-14(1)8-18(26-19)16-7-15-9-21(27-20(15)11-24-16)25-6-3-13-2-5-23-17(13)12-25/h1-12H/p+1
InChIKeyUKKVMTLRAFFBMZ-UHFFFAOYSA-O
XLogP4.86
TPSA58.59 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.43
LogP ≤ 54.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'quaternary_nitrogen_1', 'substructure': 'N/A'}

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Related Compounds

4-(1,3-Thiazol-4-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66760252
4-(1-Methylimidazol-4-yl)-2-thieno[2,3-c]pyridin-3-ylfuro[2,3-c]pyridin-7-amine
CID 66760209
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[phenyl(thiazol-2-yl)methylene]-1-piperidyl]ethane-1,2-dione
CID 5279897
1-(4-methoxy-7-pyrazin-2-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-[(2-methylthiazol-4-yl)-phenyl-methylene]-1-piperidyl]ethane-1,2-dione
CID 5279898
1-(4-methoxy-7-thiazol-5-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 15958740
1-(4-methoxy-7-thiazol-4-yl-1H-pyrrolo[2,3-c]pyridin-3-yl)-2-[4-(pyridine-2-carbonyl)piperazin-1-yl]ethane-1,2-dione
CID 15958755
5-[2-(5-Fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]-7-pyridin-2-ylfuro[2,3-c]pyridine
CID 123747515
2-[3-fluoro-2-pyridin-2-yl-5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-6-(1H-pyrrol-2-yl)-4-thieno[3,2-b]pyridin-2-ylphenyl]-1,3-benzoxazole
CID 141325330
N-[(1Z)-1-[5-[2-(5-fluoro-3-pyridinyl)-4-methyl-1,3-thiazol-5-yl]furo[2,3-c]pyridin-7-yl]buta-1,3-dienyl]methanimine
CID 145654144
2-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-4-carboxamide
CID 25096257
4-(1-benzofuran-2-yl)-N-(4-piperazin-1-yl-3-pyridinyl)-1,3-thiazole-2-carboxamide
CID 42605644
2-(4-Piperazin-1-ylphenyl)-7-(1,3-thiazol-5-yl)furo[3,2-b]pyridine
CID 56848636

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine?
The IUPAC name of 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine (CID 123396145) is 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine.
What is the SMILES notation for 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine?
The canonical SMILES for 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine is c1cc2cc(-c3cc4cc(-[n+]5ccc6cc[nH]c6c5)sc4cn3)oc2cn1.
What is the InChIKey of 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine?
The InChIKey is UKKVMTLRAFFBMZ-UHFFFAOYSA-O. The full InChI is InChI=1S/C21H12N4OS/c1-4-22-10-19-14(1)8-18(26-19)16-7-15-9-21(27-20(15)11-24-16)25-6-3-13-2-5-23-17(13)12-25/h1-12H/p+1.
What are the key properties of 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine?
2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine has a molecular weight of 369.43 g/mol, XLogP of 4.86, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrolo[2,3-c]pyridin-6-ium-6-yl)thieno[2,3-c]pyridin-5-yl]furo[2,3-c]pyridine is sourced from PubChem (CID 123396145), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).