6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine

C20H17FN4S — CID 158969023

IUPAC6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
SMILESF[C@@H]1CCN(c2ccc(-c3ccc4cc(C5=CCN=C5)sc4n3)cn2)C1
InChIInChI=1S/C20H17FN4S/c21-16-6-8-25(12-16)19-4-2-14(11-23-19)17-3-1-13-9-18(26-20(13)24-17)15-5-7-22-10-15/h1-5,9-11,16H,6-8,12H2/t16-/m1/s1
InChIKeyQJSCFUCXHZDKRK-MRXNPFEDSA-N
MW364.45 g/mol
LogP4.37
Rot. Bonds3

About 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine

6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine (PubChem CID 158969023) has the molecular formula C20H17FN4S and a molecular weight of 364.45 g/mol. Its IUPAC name is 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine.

Molecular Properties

Compound Name6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
PubChem CID158969023
Molecular FormulaC20H17FN4S
Molecular Weight364.45 g/mol
Exact Mass364.12
IUPAC Name6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine
SMILESF[C@@H]1CCN(c2ccc(-c3ccc4cc(C5=CCN=C5)sc4n3)cn2)C1
InChIInChI=1S/C20H17FN4S/c21-16-6-8-25(12-16)19-4-2-14(11-23-19)17-3-1-13-9-18(26-20(13)24-17)15-5-7-22-10-15/h1-5,9-11,16H,6-8,12H2/t16-/m1/s1
InChIKeyQJSCFUCXHZDKRK-MRXNPFEDSA-N
XLogP4.37
TPSA41.38 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-4-methylpiperazin-2-one
CID 146272225
2-fluoro-4-[6-(6-fluoro-3-pyridinyl)thieno[2,3-b]pyridin-2-yl]-N-methylaniline;2-fluoro-4-[6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-N-methylaniline;2-fluoro-4-[6-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]thieno[2,3-b]pyridin-2-yl]-N-methylaniline;6-(6-fluoro-3-pyridinyl)-2-(6-methyl-3-pyridinyl)thieno[2,3-b]pyridine;6-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-pyridin-3-ylthieno[2,3-b]pyridine;6-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-2-pyrimidin-5-ylthieno[2,3-b]pyridine
CID 160524471
6-(3-fluoropyrrolidin-1-yl)pyridine-3-carbaldehyde
CID 165460442
2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-N-(1,2-thiazol-4-yl)-1,3-thiazole-5-carboxamide
CID 171545627
1-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-[1,3]thiazolo[4,5-c]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595362
1-[2-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-[1,3]thiazolo[4,5-b]pyridin-6-yl]-N-(oxetan-3-yl)piperidin-4-amine
CID 172595458
2-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-6-(1,2-thiazol-5-yl)-7H-imidazo[1,5-b][1,2,4]triazol-5-one;hydrochloride
CID 172915744
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-(2-methyl-1,3-thiazol-5-yl)-4H-pyrrolo[3,4-d][1,3]oxazol-6-one
CID 176706302
5-(1-amino-3-methyliminoprop-1-en-2-yl)-2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 174034328
5-bromo-N-[[3-[6-[(3S)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-1H-pyrazol-5-yl]methyl]pyridin-3-amine
CID 176596218
(E)-2-[2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-4-methylidene-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-5-yl]-3-methyliminoprop-1-en-1-amine
CID 166475099
2-[6-(3-fluoropyrrolidin-1-yl)-3-pyridinyl]-5-[1-(oxan-2-yl)pyrazol-4-yl]-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 175548729

Frequently Asked Questions

What is the IUPAC name of 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine?
The IUPAC name of 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine (CID 158969023) is 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine.
What is the SMILES notation for 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine?
The canonical SMILES for 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine is F[C@@H]1CCN(c2ccc(-c3ccc4cc(C5=CCN=C5)sc4n3)cn2)C1.
What is the InChIKey of 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine?
The InChIKey is QJSCFUCXHZDKRK-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H17FN4S/c21-16-6-8-25(12-16)19-4-2-14(11-23-19)17-3-1-13-9-18(26-20(13)24-17)15-5-7-22-10-15/h1-5,9-11,16H,6-8,12H2/t16-/m1/s1.
What are the key properties of 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine?
6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine has a molecular weight of 364.45 g/mol, XLogP of 4.37, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(3R)-3-fluoropyrrolidin-1-yl]-3-pyridinyl]-2-(2H-pyrrol-4-yl)thieno[2,3-b]pyridine is sourced from PubChem (CID 158969023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).