2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine

C21H24FN5O2 — CID 150405954

IUPAC2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine
SMILESCCOc1cccnc1Oc1cncc(C2N=CC=CN2[C@@H]2CNC[C@@H](F)C2)c1
InChIInChI=1S/C21H24FN5O2/c1-2-28-19-5-3-6-26-21(19)29-18-9-15(11-23-14-18)20-25-7-4-8-27(20)17-10-16(22)12-24-13-17/h3-9,11,14,16-17,20,24H,2,10,12-13H2,1H3/t16-,17-,20?/m0/s1
InChIKeyHETQMORBIUVEFS-NBJLRHFZSA-N
MW397.45 g/mol
LogP3.27
Rot. Bonds6

About 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine

2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine (PubChem CID 150405954) has the molecular formula C21H24FN5O2 and a molecular weight of 397.45 g/mol. Its IUPAC name is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine.

Molecular Properties

Compound Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine
PubChem CID150405954
Molecular FormulaC21H24FN5O2
Molecular Weight397.45 g/mol
Exact Mass397.19
IUPAC Name2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine
SMILESCCOc1cccnc1Oc1cncc(C2N=CC=CN2[C@@H]2CNC[C@@H](F)C2)c1
InChIInChI=1S/C21H24FN5O2/c1-2-28-19-5-3-6-26-21(19)29-18-9-15(11-23-14-18)20-25-7-4-8-27(20)17-10-16(22)12-24-13-17/h3-9,11,14,16-17,20,24H,2,10,12-13H2,1H3/t16-,17-,20?/m0/s1
InChIKeyHETQMORBIUVEFS-NBJLRHFZSA-N
XLogP3.27
TPSA71.87 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine with MolForge

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Related Compounds

(2S)-2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-(oxolan-3-yl)-2H-pyrimidine
CID 172793927
2-[(5-bromo-3-pyridinyl)oxy]-3-propoxypyridine
CID 113370726
2-(4-bromo-3,5-dimethylphenoxy)-3-ethoxypyridine
CID 107724263
3-[(3-ethoxy-2-pyridinyl)oxy]phenol
CID 113371152
bis(phosphanyl)phosphane;tert-butyl (3S,5S)-3-amino-5-fluoropiperidine-1-carboxylate;tert-butyl (3S,5S)-3-[[2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carbonyl]amino]-5-fluoropiperidine-1-carboxylate;bis(2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-N-[(3S,5S)-5-fluoropiperidin-3-yl]pyrimidine-5-carboxamide);2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]pyrimidine-5-carboxylic acid;N-ethyl-N-propan-2-ylpropan-2-amine;phosphane;tetradeca-1,3,5,7,9,11,13-heptayne;2,4,6-tripropyl-1,3,5,2λ5,4λ5,6λ5-trioxatriphosphinane 2,4,6-trioxide;hydrochloride
CID 161384582
2-(3,4-difluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68594813
(3aR,6aS)-5-(3-ethoxy-2-pyridinyl)-2,3,3a,4,6,6a-hexahydro-1H-pyrrolo[3,4-c]pyrrole
CID 114042532
3-ethoxy-2-(2-pyrrolidin-3-ylethoxy)pyridine
CID 114796289
3-[[(2S,4S)-4-fluoro-1-methylpyrrolidin-2-yl]methoxy]pyridine
CID 54319796
3-(azetidin-3-yl)-4-ethoxypyridine
CID 130565717
2-(4-chloro-3-fluorophenoxy)-3-(piperidin-3-ylmethoxy)pyridine
CID 68595188
2-(4-chloro-3-fluorophenoxy)-3-[[(3S)-piperidin-3-yl]methoxy]pyridine
CID 68598179

Frequently Asked Questions

What is the IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine?
The IUPAC name of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine (CID 150405954) is 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine.
What is the SMILES notation for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine?
The canonical SMILES for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine is CCOc1cccnc1Oc1cncc(C2N=CC=CN2[C@@H]2CNC[C@@H](F)C2)c1.
What is the InChIKey of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine?
The InChIKey is HETQMORBIUVEFS-NBJLRHFZSA-N. The full InChI is InChI=1S/C21H24FN5O2/c1-2-28-19-5-3-6-26-21(19)29-18-9-15(11-23-14-18)20-25-7-4-8-27(20)17-10-16(22)12-24-13-17/h3-9,11,14,16-17,20,24H,2,10,12-13H2,1H3/t16-,17-,20?/m0/s1.
What are the key properties of 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine?
2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine has a molecular weight of 397.45 g/mol, XLogP of 3.27, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[(3-ethoxy-2-pyridinyl)oxy]-3-pyridinyl]-1-[(3S,5S)-5-fluoropiperidin-3-yl]-2H-pyrimidine is sourced from PubChem (CID 150405954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).