2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine

C21H16N4OS — CID 134598370

IUPAC2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine
SMILESc1cnc2[nH]c(-c3cnc4c(c3)CC(c3ccc5c(n3)SCC5)O4)cc2c1
InChIInChI=1S/C21H16N4OS/c1-2-13-9-17(24-19(13)22-6-1)15-8-14-10-18(26-20(14)23-11-15)16-4-3-12-5-7-27-21(12)25-16/h1-4,6,8-9,11,18H,5,7,10H2,(H,22,24)
InChIKeyWQVMYIADNGQICQ-UHFFFAOYSA-N
MW372.45 g/mol
LogP4.34
Rot. Bonds2

About 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine

2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine (PubChem CID 134598370) has the molecular formula C21H16N4OS and a molecular weight of 372.45 g/mol. Its IUPAC name is 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine.

Molecular Properties

Compound Name2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine
PubChem CID134598370
Molecular FormulaC21H16N4OS
Molecular Weight372.45 g/mol
Exact Mass372.10
IUPAC Name2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine
SMILESc1cnc2[nH]c(-c3cnc4c(c3)CC(c3ccc5c(n3)SCC5)O4)cc2c1
InChIInChI=1S/C21H16N4OS/c1-2-13-9-17(24-19(13)22-6-1)15-8-14-10-18(26-20(14)23-11-15)16-4-3-12-5-7-27-21(12)25-16/h1-4,6,8-9,11,18H,5,7,10H2,(H,22,24)
InChIKeyWQVMYIADNGQICQ-UHFFFAOYSA-N
XLogP4.34
TPSA63.69 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.45
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine 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

1-[5-(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrimidin-2-yl]piperidin-4-ol
CID 167978285
5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydroisoindol-1-one
CID 91664555
2-(1H-indol-2-yl)-1H-pyrrolo[2,3-b]pyridine
CID 69186852
2-[5-fluoro-2-(trifluoromethyl)phenyl]-1H-pyrrolo[2,3-b]pyridine
CID 150386076
2-(5-cyclopropyl-1H-pyrazol-4-yl)-1H-pyrrolo[2,3-b]pyridine
CID 176550416
4-(1H-pyrrolo[2,3-b]pyridin-2-yl)cyclohex-3-en-1-ol
CID 91664681
3,4-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)pyrrole-2,5-dione
CID 67082315
2-(1H-pyrrolo[3,2-b]pyridin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 170256846
6-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2-thieno[2,3-b]pyridin-5-ylfuro[2,3-b]pyridine
CID 130312245
[3,5-bis(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 87908800
N-methyl-1-[3-(1H-pyrrolo[2,3-b]pyridin-2-yl)phenyl]methanamine
CID 141182276
4-[1-methyl-3-(1H-pyrrolo[2,3-b]pyridin-2-yl)indol-5-yl]phenol
CID 175245340

Frequently Asked Questions

What is the IUPAC name of 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine?
The IUPAC name of 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine (CID 134598370) is 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine.
What is the SMILES notation for 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine?
The canonical SMILES for 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine is c1cnc2[nH]c(-c3cnc4c(c3)CC(c3ccc5c(n3)SCC5)O4)cc2c1.
What is the InChIKey of 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine?
The InChIKey is WQVMYIADNGQICQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4OS/c1-2-13-9-17(24-19(13)22-6-1)15-8-14-10-18(26-20(14)23-11-15)16-4-3-12-5-7-27-21(12)25-16/h1-4,6,8-9,11,18H,5,7,10H2,(H,22,24).
What are the key properties of 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine?
2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine has a molecular weight of 372.45 g/mol, XLogP of 4.34, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,3-dihydrothieno[2,3-b]pyridin-6-yl)-5-(1H-pyrrolo[2,3-b]pyridin-2-yl)-2,3-dihydrofuro[2,3-b]pyridine is sourced from PubChem (CID 134598370), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).