2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine

C19H16FN5S — CID 158376863

IUPAC2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1nc(N2CCCC2)ccc1-c1nc2nc(-c3ccc[nH]3)ccc2s1
InChIInChI=1S/C19H16FN5S/c20-17-12(5-8-16(23-17)25-10-1-2-11-25)19-24-18-15(26-19)7-6-14(22-18)13-4-3-9-21-13/h3-9,21H,1-2,10-11H2
InChIKeyORUPRRIJZDBPHW-UHFFFAOYSA-N
MW365.44 g/mol
LogP4.49
Rot. Bonds3

About 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine

2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 158376863) has the molecular formula C19H16FN5S and a molecular weight of 365.44 g/mol. Its IUPAC name is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID158376863
Molecular FormulaC19H16FN5S
Molecular Weight365.44 g/mol
Exact Mass365.11
IUPAC Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESFc1nc(N2CCCC2)ccc1-c1nc2nc(-c3ccc[nH]3)ccc2s1
InChIInChI=1S/C19H16FN5S/c20-17-12(5-8-16(23-17)25-10-1-2-11-25)19-24-18-15(26-19)7-6-14(22-18)13-4-3-9-21-13/h3-9,21H,1-2,10-11H2
InChIKeyORUPRRIJZDBPHW-UHFFFAOYSA-N
XLogP4.49
TPSA57.70 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 54.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 167073497
ethane;2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-4-methylidene-6,7-dihydro-5H-[1,3]thiazolo[5,4-c]pyridine
CID 171489069
5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
CID 130416448
5-(6-fluoro-3-pyridinyl)-2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
CID 171489058
4-(1H-pyrrol-2-yl)triazine;hydroiodide
CID 175023934
3,6-bis(1H-pyrrol-2-yl)pyridazine
CID 102440417
6-pyrrolidin-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 164597709
5-piperidin-1-yl-1H-cyclopenta[b]pyridine
CID 57251948
2-amino-4-(2-piperidin-1-ylpyrimidin-5-yl)-6-(1H-pyrrol-2-yl)pyridine-3-carbonitrile
CID 56863641
1-[6-(18F)fluoro-5-(5-hydroxy-1H-indol-2-yl)-2-pyridinyl]piperidine-4-carboxamide
CID 156681108
2-(3-bromophenyl)-4-(1H-pyrrol-2-yl)-1,3-thiazole
CID 78907588
2-(2,3-difluorophenyl)-N-pyrrolidin-1-yl-1,3-benzothiazol-5-amine
CID 130247798

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine (CID 158376863) is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine is Fc1nc(N2CCCC2)ccc1-c1nc2nc(-c3ccc[nH]3)ccc2s1.
What is the InChIKey of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is ORUPRRIJZDBPHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16FN5S/c20-17-12(5-8-16(23-17)25-10-1-2-11-25)19-24-18-15(26-19)7-6-14(22-18)13-4-3-9-21-13/h3-9,21H,1-2,10-11H2.
What are the key properties of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine?
2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 365.44 g/mol, XLogP of 4.49, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 158376863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).