2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

C20H18FN5O2S — CID 171489074

IUPAC2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(N4CCC(O)C4)nc3F)nc2CCN1c1cccnc1
InChIInChI=1S/C20H18FN5O2S/c21-18-14(3-4-16(24-18)25-8-5-13(27)11-25)19-23-15-6-9-26(20(28)17(15)29-19)12-2-1-7-22-10-12/h1-4,7,10,13,27H,5-6,8-9,11H2
InChIKeyIWAQJEIZQKEFMX-UHFFFAOYSA-N
MW411.46 g/mol
LogP2.51
Rot. Bonds3

About 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one

2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (PubChem CID 171489074) has the molecular formula C20H18FN5O2S and a molecular weight of 411.46 g/mol. Its IUPAC name is 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.

Molecular Properties

Compound Name2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
PubChem CID171489074
Molecular FormulaC20H18FN5O2S
Molecular Weight411.46 g/mol
Exact Mass411.12
IUPAC Name2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one
SMILESO=C1c2sc(-c3ccc(N4CCC(O)C4)nc3F)nc2CCN1c1cccnc1
InChIInChI=1S/C20H18FN5O2S/c21-18-14(3-4-16(24-18)25-8-5-13(27)11-25)19-23-15-6-9-26(20(28)17(15)29-19)12-2-1-7-22-10-12/h1-4,7,10,13,27H,5-6,8-9,11H2
InChIKeyIWAQJEIZQKEFMX-UHFFFAOYSA-N
XLogP2.51
TPSA82.45 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.46
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The IUPAC name of 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one (CID 171489074) is 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one.
What is the SMILES notation for 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The canonical SMILES for 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is O=C1c2sc(-c3ccc(N4CCC(O)C4)nc3F)nc2CCN1c1cccnc1.
What is the InChIKey of 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
The InChIKey is IWAQJEIZQKEFMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18FN5O2S/c21-18-14(3-4-16(24-18)25-8-5-13(27)11-25)19-23-15-6-9-26(20(28)17(15)29-19)12-2-1-7-22-10-12/h1-4,7,10,13,27H,5-6,8-9,11H2.
What are the key properties of 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one?
2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one has a molecular weight of 411.46 g/mol, XLogP of 2.51, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-6-(3-hydroxypyrrolidin-1-yl)-3-pyridinyl]-5-pyridin-3-yl-6,7-dihydro-[1,3]thiazolo[5,4-c]pyridin-4-one is sourced from PubChem (CID 171489074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).