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

C18H17FN6O — CID 59759787

IUPAC3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole
SMILESCCCc1c(Cc2conc2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C18H17FN6O/c1-3-5-13-15(21-10-25-18(13)22-11(2)23-25)8-12-9-26-24-16(12)17-14(19)6-4-7-20-17/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyQFKAYNBBTMTLDK-UHFFFAOYSA-N
MW352.37 g/mol
LogP3.17
Rot. Bonds5

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

3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole (PubChem CID 59759787) has the molecular formula C18H17FN6O and a molecular weight of 352.37 g/mol. Its IUPAC name is 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole.

Molecular Properties

Compound Name3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole
PubChem CID59759787
Molecular FormulaC18H17FN6O
Molecular Weight352.37 g/mol
Exact Mass352.14
IUPAC Name3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole
SMILESCCCc1c(Cc2conc2-c2ncccc2F)ncn2nc(C)nc12
InChIInChI=1S/C18H17FN6O/c1-3-5-13-15(21-10-25-18(13)22-11(2)23-25)8-12-9-26-24-16(12)17-14(19)6-4-7-20-17/h4,6-7,9-10H,3,5,8H2,1-2H3
InChIKeyQFKAYNBBTMTLDK-UHFFFAOYSA-N
XLogP3.17
TPSA82.00 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.37
LogP ≤ 53.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole?
The IUPAC name of 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole (CID 59759787) is 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole.
What is the SMILES notation for 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole?
The canonical SMILES for 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole is CCCc1c(Cc2conc2-c2ncccc2F)ncn2nc(C)nc12.
What is the InChIKey of 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole?
The InChIKey is QFKAYNBBTMTLDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6O/c1-3-5-13-15(21-10-25-18(13)22-11(2)23-25)8-12-9-26-24-16(12)17-14(19)6-4-7-20-17/h4,6-7,9-10H,3,5,8H2,1-2H3.
What are the key properties of 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole?
3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole has a molecular weight of 352.37 g/mol, XLogP of 3.17, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-2-pyridinyl)-4-[(2-methyl-8-propyl-[1,2,4]triazolo[1,5-c]pyrimidin-7-yl)methyl]-1,2-oxazole is sourced from PubChem (CID 59759787), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).