2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol

C17H20FN3O3 — CID 134609520

IUPAC2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol
SMILESCc1ncc(N)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1
InChIInChI=1S/C17H20FN3O3/c1-11-14(6-13(19)7-20-11)12-4-15(17(8-18)9-23-10-17)21-16(5-12)24-3-2-22/h4-7,22H,2-3,8-10,19H2,1H3
InChIKeyKTJRBQKASALKFA-UHFFFAOYSA-N
MW333.36 g/mol
LogP1.64
Rot. Bonds6

About 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol

2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol (PubChem CID 134609520) has the molecular formula C17H20FN3O3 and a molecular weight of 333.36 g/mol. Its IUPAC name is 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol.

Molecular Properties

Compound Name2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol
PubChem CID134609520
Molecular FormulaC17H20FN3O3
Molecular Weight333.36 g/mol
Exact Mass333.15
IUPAC Name2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol
SMILESCc1ncc(N)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1
InChIInChI=1S/C17H20FN3O3/c1-11-14(6-13(19)7-20-11)12-4-15(17(8-18)9-23-10-17)21-16(5-12)24-3-2-22/h4-7,22H,2-3,8-10,19H2,1H3
InChIKeyKTJRBQKASALKFA-UHFFFAOYSA-N
XLogP1.64
TPSA90.49 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.36
LogP ≤ 51.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol with MolForge

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Launch Full Analysis

Related Compounds

5-[5-[3-(fluoromethyl)oxetan-3-yl]-6-methoxy-3-pyridinyl]-6-methylpyridin-3-amine
CID 125478362
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-(2-methoxy-4-pyridinyl)-2-pyridinyl]oxy]ethanol
CID 168928761
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[2-(methylamino)-4-pyridinyl]-2-pyridinyl]oxy]ethanol
CID 168928493
2-(1,1-difluoroethyl)-N-[3-[2-[4-(fluoromethyl)oxan-4-yl]-6-(2-hydroxyethoxy)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609473
5-(2,6-dimorpholin-4-yl-4-pyridinyl)-6-methylpyridin-3-amine
CID 168929038
5-(5-amino-2-methyl-3-pyridinyl)pyrimidin-2-amine
CID 71070877
2-(1,1-difluoroethyl)-N-[3-[2-(2-hydroxyethoxy)-6-(3-methoxyoxetan-3-yl)-4-pyridinyl]-4-methylphenyl]pyridine-4-carboxamide
CID 134609529
5-(4-chlorophenyl)-6-methylpyridin-3-amine
CID 165369043
5-[2-chloro-6-[4-[hydroxy(dimethyl)silyl]-4-methylpentoxy]pyrimidin-4-yl]-6-methylpyridin-3-amine
CID 170516558
2-[[4-(5-amino-4-fluoro-2-methylphenyl)-6-pyridin-4-yl-2-pyridinyl]oxy]ethanol
CID 168928786
2-[[4-[4-fluoro-2-methyl-5-(2-oxaspiro[3.3]heptan-6-ylamino)phenyl]-6-(1H-pyrazolo[3,4-b]pyridin-4-yl)-2-pyridinyl]oxy]ethanol
CID 168928610
2-[(4-amino-5-methyl-2-pyridinyl)oxy]ethanol
CID 83266577

Frequently Asked Questions

What is the IUPAC name of 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol?
The IUPAC name of 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol (CID 134609520) is 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol.
What is the SMILES notation for 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol?
The canonical SMILES for 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol is Cc1ncc(N)cc1-c1cc(OCCO)nc(C2(CF)COC2)c1.
What is the InChIKey of 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol?
The InChIKey is KTJRBQKASALKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20FN3O3/c1-11-14(6-13(19)7-20-11)12-4-15(17(8-18)9-23-10-17)21-16(5-12)24-3-2-22/h4-7,22H,2-3,8-10,19H2,1H3.
What are the key properties of 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol?
2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol has a molecular weight of 333.36 g/mol, XLogP of 1.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-(5-amino-2-methyl-3-pyridinyl)-6-[3-(fluoromethyl)oxetan-3-yl]-2-pyridinyl]oxy]ethanol is sourced from PubChem (CID 134609520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).