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

C21H12N4OS — CID 123484722

IUPAC2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine
SMILESc1cnc2oc(-c3cnc4sc(-c5ccc6cc[nH]c6n5)cc4c3)cc2c1
InChIInChI=1S/C21H12N4OS/c1-2-13-9-17(26-20(13)23-6-1)15-8-14-10-18(27-21(14)24-11-15)16-4-3-12-5-7-22-19(12)25-16/h1-11H,(H,22,25)
InChIKeyIZEVHJRNMKDHJF-UHFFFAOYSA-N
MW368.42 g/mol
LogP5.65
Rot. Bonds2

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

2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine (PubChem CID 123484722) has the molecular formula C21H12N4OS and a molecular weight of 368.42 g/mol. Its IUPAC name is 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine.

Molecular Properties

Compound Name2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine
PubChem CID123484722
Molecular FormulaC21H12N4OS
Molecular Weight368.42 g/mol
Exact Mass368.07
IUPAC Name2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine
SMILESc1cnc2oc(-c3cnc4sc(-c5ccc6cc[nH]c6n5)cc4c3)cc2c1
InChIInChI=1S/C21H12N4OS/c1-2-13-9-17(26-20(13)23-6-1)15-8-14-10-18(27-21(14)24-11-15)16-4-3-12-5-7-22-19(12)25-16/h1-11H,(H,22,25)
InChIKeyIZEVHJRNMKDHJF-UHFFFAOYSA-N
XLogP5.65
TPSA67.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.42
LogP ≤ 55.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-methoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156012925
3-[(4-methoxyphenyl)methyl]-6-(1H-pyrrolo[2,3-b]pyridin-4-yl)thieno[2,3-d]pyrimidin-4-one
CID 156012244
2-amino-N-ethyl-4-[3-[5-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]pentoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145967843
2-amino-N-ethyl-4-[3-[6-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]hexoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145969339
N-[(5-Phenoxythiophen-2-yl)methyl]-1H-pyrrolo[2,3-b]pyridine-5-carboxamide
CID 49863203
2-amino-N-ethyl-4-[3-[4-[4-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrazol-1-yl]butoxy]phenyl]thieno[2,3-d]pyrimidine-6-carboxamide
CID 145967669
4-[1-[5-[3-[(3-Fluoropyrrolidin-1-yl)methyl]-2-pyridinyl]furan-2-yl]ethylamino]-2-methylthieno[2,3-d]pyrimidine-6-carboxamide
CID 168157893
4-[1-[5-[4-[(dimethylamino)methyl]-3-pyridinyl]furan-2-yl]ethylamino]-N-prop-2-ynyl-2-(trifluoromethyl)thieno[2,3-d]pyrimidine-6-carboxamide
CID 168157927
[(4S)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 169163616
[(4S)-4-(1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-[2-[4-(trifluoromethyl)-2-pyridinyl]-1,3-thiazol-5-yl]methanone
CID 169164065
[(4R)-4-(5-fluoro-3-methyl-1-benzofuran-2-yl)-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(2-pyridin-2-yl-1,3-thiazol-5-yl)methanone
CID 169164082
6-[(2R)-2,6-dimethylpiperidin-4-yl]oxy-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)thieno[2,3-b]pyridine-2-carboxamide
CID 170747428

Frequently Asked Questions

What is the IUPAC name of 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine?
The IUPAC name of 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine (CID 123484722) is 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine.
What is the SMILES notation for 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine?
The canonical SMILES for 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine is c1cnc2oc(-c3cnc4sc(-c5ccc6cc[nH]c6n5)cc4c3)cc2c1.
What is the InChIKey of 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine?
The InChIKey is IZEVHJRNMKDHJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H12N4OS/c1-2-13-9-17(26-20(13)23-6-1)15-8-14-10-18(27-21(14)24-11-15)16-4-3-12-5-7-22-19(12)25-16/h1-11H,(H,22,25).
What are the key properties of 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine?
2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine has a molecular weight of 368.42 g/mol, XLogP of 5.65, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(1H-pyrrolo[2,3-b]pyridin-6-yl)thieno[2,3-b]pyridin-5-yl]furo[2,3-b]pyridine is sourced from PubChem (CID 123484722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).