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

C21H13N4OS+ — CID 123354463

IUPAC2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine
SMILESc1cc2oc(-[n+]3ccc4sc(-c5cc6[nH]ccc6cn5)cc4c3)cc2cn1
InChIInChI=1S/C21H13N4OS/c1-5-23-16-9-17(24-11-13(1)16)20-7-15-12-25(6-3-19(15)27-20)21-8-14-10-22-4-2-18(14)26-21/h1-12,23H/q+1
InChIKeyNHXZMKMUXPDGNX-UHFFFAOYSA-N
MW369.43 g/mol
LogP4.86
Rot. Bonds2

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

2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine (PubChem CID 123354463) has the molecular formula C21H13N4OS+ and a molecular weight of 369.43 g/mol. Its IUPAC name is 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine.

Molecular Properties

Compound Name2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine
PubChem CID123354463
Molecular FormulaC21H13N4OS+
Molecular Weight369.43 g/mol
Exact Mass369.08
IUPAC Name2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine
SMILESc1cc2oc(-[n+]3ccc4sc(-c5cc6[nH]ccc6cn5)cc4c3)cc2cn1
InChIInChI=1S/C21H13N4OS/c1-5-23-16-9-17(24-11-13(1)16)20-7-15-12-25(6-3-19(15)27-20)21-8-14-10-22-4-2-18(14)26-21/h1-12,23H/q+1
InChIKeyNHXZMKMUXPDGNX-UHFFFAOYSA-N
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

2-[4-[2-(azetidine-1-carbonyl)thieno[3,2-b]pyridin-7-yl]oxyphenyl]-N-pyridin-4-ylacetamide
CID 18456619
6-[2-[3-(aminomethyl)pyrrolidine-1-carbonyl]thieno[3,2-b]pyridin-7-yl]oxy-N,1,2-trimethylindole-3-carboxamide
CID 20767829
1,2-Dimethyl-6-[2-(3-methylaminomethyl-pyrrolidine-1-carbonyl)-thieno[3,2-b]pyridin-7-yloxy]-1H-indole-3-carboxylic acid methylamide
CID 20767878
1-[(3R,4R)-3-(3,8-diazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl)-4-methylpiperidin-1-yl]-3-(5-thiophen-2-ylfuran-2-yl)propan-1-one
CID 58078561
(5Z)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090072
(5E)-5-[[7-(1,3-benzothiazol-2-yl)furo[3,2-c]pyridin-2-yl]methylidene]-1,3-thiazolidine-2,4-dione
CID 118090074
1-[5-[2-[2-[5-[2-(dimethylamino)ethoxy]-3-pyridinyl]-5,6-dihydro-1,7-naphthyridin-8-yl]-1H-pyrrolo[3,2-c]pyridin-4-yl]thiophen-2-yl]ethanone
CID 126571118
6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
CID 126703142
5-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-6-ylfuro[3,2-b]pyridine
CID 130434104
6-(1H-pyrrolo[3,2-b]pyridin-2-yl)-2-thieno[3,2-b]pyridin-5-ylfuro[3,2-b]pyridine
CID 130453316
2-[2-(1H-pyrrolo[3,2-b]pyridin-6-yl)thieno[3,2-b]pyridin-6-yl]furo[3,2-b]pyridine
CID 139449409
furo[3,2-c]pyridine;1H-pyrrolo[3,2-c]pyridine;thieno[3,2-c]pyridine
CID 144345075

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine?
The IUPAC name of 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine (CID 123354463) is 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine.
What is the SMILES notation for 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine?
The canonical SMILES for 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine is c1cc2oc(-[n+]3ccc4sc(-c5cc6[nH]ccc6cn5)cc4c3)cc2cn1.
What is the InChIKey of 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine?
The InChIKey is NHXZMKMUXPDGNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13N4OS/c1-5-23-16-9-17(24-11-13(1)16)20-7-15-12-25(6-3-19(15)27-20)21-8-14-10-22-4-2-18(14)26-21/h1-12,23H/q+1.
What are the key properties of 2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine?
2-[2-(1H-pyrrolo[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-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[3,2-c]pyridin-6-yl)thieno[3,2-c]pyridin-5-ium-5-yl]furo[3,2-c]pyridine is sourced from PubChem (CID 123354463), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).