ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine

C25H33FN4O — CID 144887684

IUPACethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
SMILESCC.Cc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC(C)c1cccc(F)c1C
InChIInChI=1S/C23H27FN4O.C2H6/c1-15-21(5-4-6-22(15)24)17(3)29-23-11-18(12-26-16(23)2)19-13-27-28(14-19)20-7-9-25-10-8-20;1-2/h4-6,11-14,17,20,25H,7-10H2,1-3H3;1-2H3
InChIKeyRMAKWJDSVFDTCT-UHFFFAOYSA-N
MW424.56 g/mol
LogP5.79
Rot. Bonds5

About ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine

ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine (PubChem CID 144887684) has the molecular formula C25H33FN4O and a molecular weight of 424.56 g/mol. Its IUPAC name is ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine.

Molecular Properties

Compound Nameethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
PubChem CID144887684
Molecular FormulaC25H33FN4O
Molecular Weight424.56 g/mol
Exact Mass424.26
IUPAC Nameethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine
SMILESCC.Cc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC(C)c1cccc(F)c1C
InChIInChI=1S/C23H27FN4O.C2H6/c1-15-21(5-4-6-22(15)24)17(3)29-23-11-18(12-26-16(23)2)19-13-27-28(14-19)20-7-9-25-10-8-20;1-2/h4-6,11-14,17,20,25H,7-10H2,1-3H3;1-2H3
InChIKeyRMAKWJDSVFDTCT-UHFFFAOYSA-N
XLogP5.79
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500424.56
LogP ≤ 55.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[1-(2-chloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 175673274
3-[1-(3-fluoro-2,6-dimethylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 72679528
[2-[1-[[2-amino-5-(1-piperidin-4-ylpyrazol-4-yl)-3-pyridinyl]oxy]ethyl]-4-fluorophenyl]methanol
CID 158968110
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-2-methyl-5-[1-(oxan-4-yl)pyrazol-4-yl]pyridine
CID 24960394
3-[1-(6-chloro-2-methyl-3-phosphanylphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;ethane
CID 144887695
3-[1-(2-chloro-3-fluoro-6-methoxyphenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine
CID 146185142
3-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;1,1,1,4,4,4-hexafluorobutane-2,3-dione
CID 158674687
2-amino-N-[3-[(1R)-1-(2,6-dichloro-3-fluorophenyl)ethoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)-2-pyridinyl]-2-phenylacetamide
CID 90419284
3-[(3-fluorophenoxy)methoxy]-5-(1-piperidin-4-ylpyrazol-4-yl)pyridin-2-amine;hydrochloride
CID 118625534
[4-[4-[6-amino-5-[1-(2,6-dichloro-3-fluorophenyl)ethoxy]-3-pyridinyl]pyrazol-1-yl]piperidin-1-yl]-piperidin-4-ylmethanone
CID 86269799
5-(1-piperidin-4-ylpyrazol-4-yl)-3-[(1S)-1,2,2,2-tetradeuterio-1-(2,6-dichloro-3-fluorophenyl)ethoxy]pyridin-2-amine
CID 72704813
4-[4-[2-(trifluoromethoxy)phenyl]pyrazol-1-yl]piperidine
CID 166611106

Frequently Asked Questions

What is the IUPAC name of ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The IUPAC name of ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine (CID 144887684) is ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine.
What is the SMILES notation for ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The canonical SMILES for ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine is CC.Cc1ncc(-c2cnn(C3CCNCC3)c2)cc1OC(C)c1cccc(F)c1C.
What is the InChIKey of ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
The InChIKey is RMAKWJDSVFDTCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27FN4O.C2H6/c1-15-21(5-4-6-22(15)24)17(3)29-23-11-18(12-26-16(23)2)19-13-27-28(14-19)20-7-9-25-10-8-20;1-2/h4-6,11-14,17,20,25H,7-10H2,1-3H3;1-2H3.
What are the key properties of ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine?
ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine has a molecular weight of 424.56 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethane;3-[1-(3-fluoro-2-methylphenyl)ethoxy]-2-methyl-5-(1-piperidin-4-ylpyrazol-4-yl)pyridine is sourced from PubChem (CID 144887684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).