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

C19H19FN6S — CID 167073497

IUPAC2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCN1N=CCC1c1ccc2sc(-c3ccc(N4CCCC4)nc3F)nc2n1
InChIInChI=1S/C19H19FN6S/c1-25-14(8-9-21-25)13-5-6-15-18(22-13)24-19(27-15)12-4-7-16(23-17(12)20)26-10-2-3-11-26/h4-7,9,14H,2-3,8,10-11H2,1H3
InChIKeyQSTLJDOFDPKDGD-UHFFFAOYSA-N
MW382.47 g/mol
LogP3.86
Rot. Bonds3

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

2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine (PubChem CID 167073497) has the molecular formula C19H19FN6S and a molecular weight of 382.47 g/mol. Its IUPAC name is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine
PubChem CID167073497
Molecular FormulaC19H19FN6S
Molecular Weight382.47 g/mol
Exact Mass382.14
IUPAC Name2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine
SMILESCN1N=CCC1c1ccc2sc(-c3ccc(N4CCCC4)nc3F)nc2n1
InChIInChI=1S/C19H19FN6S/c1-25-14(8-9-21-25)13-5-6-15-18(22-13)24-19(27-15)12-4-7-16(23-17(12)20)26-10-2-3-11-26/h4-7,9,14H,2-3,8,10-11H2,1H3
InChIKeyQSTLJDOFDPKDGD-UHFFFAOYSA-N
XLogP3.86
TPSA57.51 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.47
LogP ≤ 53.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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-(1H-pyrrol-2-yl)-[1,3]thiazolo[4,5-b]pyridine
CID 158376863
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-(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
tert-butyl 2-[2-fluoro-6-[(3R)-3-methylpiperidin-1-yl]-3-pyridinyl]-4-oxo-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridine-5-carboxylate
CID 177360579
5-(2,3-dihydro-1H-pyrazol-4-yl)-2-(6-piperidin-1-yl-3-pyridinyl)-[1,3]thiazolo[4,5-b]pyridine
CID 130416448
[2-fluoro-6-(4-methylpiperazin-1-yl)-3-pyridinyl]boronic acid
CID 163353584
2-methyl-3-(1-propan-2-ylpyrrolidin-2-yl)-6-pyrrolidin-1-ylpyridine
CID 102543010
5-chloro-2-[4-(1,3-dioxan-2-yl)-2-fluorophenyl]-[1,3]thiazolo[4,5-b]pyridine
CID 86638718
6-pyrrolidin-1-yl-2H-pyrazolo[3,4-b]pyridin-3-amine
CID 164597709
4-[(2,3-dihydropyridin-5-ylamino)methyl]-2-[2-fluoro-6-(4-methoxypiperidin-1-yl)-3-pyridinyl]-1,3-thiazole-5-carboxylic acid
CID 177360502
4-[5-(3,5-dichloro-4-methylphenyl)-6-fluoro-2-pyridinyl]morpholine
CID 143568149
methyl (E)-3-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)prop-2-enoate
CID 46318141

Frequently Asked Questions

What is the IUPAC name of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine?
The IUPAC name of 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) is 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine.
What is the SMILES notation for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine?
The canonical SMILES for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine is CN1N=CCC1c1ccc2sc(-c3ccc(N4CCCC4)nc3F)nc2n1.
What is the InChIKey of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine?
The InChIKey is QSTLJDOFDPKDGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19FN6S/c1-25-14(8-9-21-25)13-5-6-15-18(22-13)24-19(27-15)12-4-7-16(23-17(12)20)26-10-2-3-11-26/h4-7,9,14H,2-3,8,10-11H2,1H3.
What are the key properties of 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine?
2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine has a molecular weight of 382.47 g/mol, XLogP of 3.86, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-fluoro-6-pyrrolidin-1-yl-3-pyridinyl)-5-(2-methyl-3,4-dihydropyrazol-3-yl)-[1,3]thiazolo[4,5-b]pyridine is sourced from PubChem (CID 167073497), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).