2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol

C18H15FN6O2 — CID 155339418

IUPAC2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCc1nc(C(CO)Nc2ncnc3ncc(-c4ccc(F)cc4)cc23)no1
InChIInChI=1S/C18H15FN6O2/c1-10-23-18(25-27-10)15(8-26)24-17-14-6-12(7-20-16(14)21-9-22-17)11-2-4-13(19)5-3-11/h2-7,9,15,26H,8H2,1H3,(H,20,21,22,24)
InChIKeyJREXPHAZPABIFN-UHFFFAOYSA-N
MW366.36 g/mol
LogP2.67
Rot. Bonds5

About 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol

2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol (PubChem CID 155339418) has the molecular formula C18H15FN6O2 and a molecular weight of 366.36 g/mol. Its IUPAC name is 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol.

Molecular Properties

Compound Name2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
PubChem CID155339418
Molecular FormulaC18H15FN6O2
Molecular Weight366.36 g/mol
Exact Mass366.12
IUPAC Name2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol
SMILESCc1nc(C(CO)Nc2ncnc3ncc(-c4ccc(F)cc4)cc23)no1
InChIInChI=1S/C18H15FN6O2/c1-10-23-18(25-27-10)15(8-26)24-17-14-6-12(7-20-16(14)21-9-22-17)11-2-4-13(19)5-3-11/h2-7,9,15,26H,8H2,1H3,(H,20,21,22,24)
InChIKeyJREXPHAZPABIFN-UHFFFAOYSA-N
XLogP2.67
TPSA109.85 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.36
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
The IUPAC name of 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol (CID 155339418) is 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol.
What is the SMILES notation for 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
The canonical SMILES for 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol is Cc1nc(C(CO)Nc2ncnc3ncc(-c4ccc(F)cc4)cc23)no1.
What is the InChIKey of 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
The InChIKey is JREXPHAZPABIFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15FN6O2/c1-10-23-18(25-27-10)15(8-26)24-17-14-6-12(7-20-16(14)21-9-22-17)11-2-4-13(19)5-3-11/h2-7,9,15,26H,8H2,1H3,(H,20,21,22,24).
What are the key properties of 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol?
2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol has a molecular weight of 366.36 g/mol, XLogP of 2.67, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(4-fluorophenyl)pyrido[2,3-d]pyrimidin-4-yl]amino]-2-(5-methyl-1,2,4-oxadiazol-3-yl)ethanol is sourced from PubChem (CID 155339418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).