4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole

C16H11FN4S — CID 18446617

IUPAC4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nn3ccccc3c2-c2ccnc(F)c2)cs1
InChIInChI=1S/C16H11FN4S/c1-10-19-12(9-22-10)16-15(11-5-6-18-14(17)8-11)13-4-2-3-7-21(13)20-16/h2-9H,1H3
InChIKeyRSRCMWMNGWYIDW-UHFFFAOYSA-N
MW310.36 g/mol
LogP3.97
Rot. Bonds2

About 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole

4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole (PubChem CID 18446617) has the molecular formula C16H11FN4S and a molecular weight of 310.36 g/mol. Its IUPAC name is 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole.

Molecular Properties

Compound Name4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole
PubChem CID18446617
Molecular FormulaC16H11FN4S
Molecular Weight310.36 g/mol
Exact Mass310.07
IUPAC Name4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole
SMILESCc1nc(-c2nn3ccccc3c2-c2ccnc(F)c2)cs1
InChIInChI=1S/C16H11FN4S/c1-10-19-12(9-22-10)16-15(11-5-6-18-14(17)8-11)13-4-2-3-7-21(13)20-16/h2-9H,1H3
InChIKeyRSRCMWMNGWYIDW-UHFFFAOYSA-N
XLogP3.97
TPSA43.08 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.36
LogP ≤ 53.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole?
The IUPAC name of 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole (CID 18446617) is 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole.
What is the SMILES notation for 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole?
The canonical SMILES for 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole is Cc1nc(-c2nn3ccccc3c2-c2ccnc(F)c2)cs1.
What is the InChIKey of 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole?
The InChIKey is RSRCMWMNGWYIDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4S/c1-10-19-12(9-22-10)16-15(11-5-6-18-14(17)8-11)13-4-2-3-7-21(13)20-16/h2-9H,1H3.
What are the key properties of 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole?
4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole has a molecular weight of 310.36 g/mol, XLogP of 3.97, 2 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(2-fluoro-4-pyridinyl)pyrazolo[1,5-a]pyridin-2-yl]-2-methyl-1,3-thiazole is sourced from PubChem (CID 18446617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).