2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole

C20H17FN8S — CID 59646808

IUPAC2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
SMILESCCCc1c(Cc2ccnn2-c2ncccc2F)ncn2nc(-c3nccs3)nc12
InChIInChI=1S/C20H17FN8S/c1-2-4-14-16(11-13-6-8-25-29(13)19-15(21)5-3-7-22-19)24-12-28-18(14)26-17(27-28)20-23-9-10-30-20/h3,5-10,12H,2,4,11H2,1H3
InChIKeyGGQAUWNYGWHMSR-UHFFFAOYSA-N
MW420.48 g/mol
LogP3.51
Rot. Bonds6

About 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole

2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole (PubChem CID 59646808) has the molecular formula C20H17FN8S and a molecular weight of 420.48 g/mol. Its IUPAC name is 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole.

Molecular Properties

Compound Name2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
PubChem CID59646808
Molecular FormulaC20H17FN8S
Molecular Weight420.48 g/mol
Exact Mass420.13
IUPAC Name2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole
SMILESCCCc1c(Cc2ccnn2-c2ncccc2F)ncn2nc(-c3nccs3)nc12
InChIInChI=1S/C20H17FN8S/c1-2-4-14-16(11-13-6-8-25-29(13)19-15(21)5-3-7-22-19)24-12-28-18(14)26-17(27-28)20-23-9-10-30-20/h3,5-10,12H,2,4,11H2,1H3
InChIKeyGGQAUWNYGWHMSR-UHFFFAOYSA-N
XLogP3.51
TPSA86.68 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.48
LogP ≤ 53.51
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole?
The IUPAC name of 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole (CID 59646808) is 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole.
What is the SMILES notation for 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole?
The canonical SMILES for 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole is CCCc1c(Cc2ccnn2-c2ncccc2F)ncn2nc(-c3nccs3)nc12.
What is the InChIKey of 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole?
The InChIKey is GGQAUWNYGWHMSR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17FN8S/c1-2-4-14-16(11-13-6-8-25-29(13)19-15(21)5-3-7-22-19)24-12-28-18(14)26-17(27-28)20-23-9-10-30-20/h3,5-10,12H,2,4,11H2,1H3.
What are the key properties of 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole?
2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole has a molecular weight of 420.48 g/mol, XLogP of 3.51, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-[[2-(3-fluoro-2-pyridinyl)pyrazol-3-yl]methyl]-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-2-yl]-1,3-thiazole is sourced from PubChem (CID 59646808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).