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

C17H13FN6O — CID 155339447

IUPAC6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nnc(CNc2ncnc3ncc(-c4ccc(F)cc4)cc23)o1
InChIInChI=1S/C17H13FN6O/c1-10-23-24-15(25-10)8-20-17-14-6-12(7-19-16(14)21-9-22-17)11-2-4-13(18)5-3-11/h2-7,9H,8H2,1H3,(H,19,20,21,22)
InChIKeyJIXXJQOOSNTCJN-UHFFFAOYSA-N
MW336.33 g/mol
LogP3.13
Rot. Bonds4

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

6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine (PubChem CID 155339447) has the molecular formula C17H13FN6O and a molecular weight of 336.33 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
PubChem CID155339447
Molecular FormulaC17H13FN6O
Molecular Weight336.33 g/mol
Exact Mass336.11
IUPAC Name6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine
SMILESCc1nnc(CNc2ncnc3ncc(-c4ccc(F)cc4)cc23)o1
InChIInChI=1S/C17H13FN6O/c1-10-23-24-15(25-10)8-20-17-14-6-12(7-19-16(14)21-9-22-17)11-2-4-13(18)5-3-11/h2-7,9H,8H2,1H3,(H,19,20,21,22)
InChIKeyJIXXJQOOSNTCJN-UHFFFAOYSA-N
XLogP3.13
TPSA89.62 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.33
LogP ≤ 53.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine (CID 155339447) is 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine is Cc1nnc(CNc2ncnc3ncc(-c4ccc(F)cc4)cc23)o1.
What is the InChIKey of 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
The InChIKey is JIXXJQOOSNTCJN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13FN6O/c1-10-23-24-15(25-10)8-20-17-14-6-12(7-19-16(14)21-9-22-17)11-2-4-13(18)5-3-11/h2-7,9H,8H2,1H3,(H,19,20,21,22).
What are the key properties of 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine?
6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine has a molecular weight of 336.33 g/mol, XLogP of 3.13, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-N-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]pyrido[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 155339447), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).