2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine

C21H24F2N4O — CID 175198544

IUPAC2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine
SMILESCCOc1ncccc1-c1c(Cc2cccnc2C(F)F)c(C)nn1C(C)C
InChIInChI=1S/C21H24F2N4O/c1-5-28-21-16(9-7-11-25-21)19-17(14(4)26-27(19)13(2)3)12-15-8-6-10-24-18(15)20(22)23/h6-11,13,20H,5,12H2,1-4H3
InChIKeyLSIMIQNUFGYXNN-UHFFFAOYSA-N
MW386.45 g/mol
LogP5.16
Rot. Bonds7

About 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine

2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine (PubChem CID 175198544) has the molecular formula C21H24F2N4O and a molecular weight of 386.45 g/mol. Its IUPAC name is 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine.

Molecular Properties

Compound Name2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine
PubChem CID175198544
Molecular FormulaC21H24F2N4O
Molecular Weight386.45 g/mol
Exact Mass386.19
IUPAC Name2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine
SMILESCCOc1ncccc1-c1c(Cc2cccnc2C(F)F)c(C)nn1C(C)C
InChIInChI=1S/C21H24F2N4O/c1-5-28-21-16(9-7-11-25-21)19-17(14(4)26-27(19)13(2)3)12-15-8-6-10-24-18(15)20(22)23/h6-11,13,20H,5,12H2,1-4H3
InChIKeyLSIMIQNUFGYXNN-UHFFFAOYSA-N
XLogP5.16
TPSA52.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.45
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine with MolForge

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Related Compounds

ethyl 2-[2-(difluoromethyl)-3-pyridinyl]acetate
CID 134663371
5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-yl-N-(pyrazolo[1,5-a]pyridin-4-ylmethyl)pyrazolo[4,5-b]pyridin-7-amine
CID 138692678
2-ethoxy-3-propan-2-ylpyridine
CID 58551728
N-[(2-ethoxy-3-pyridinyl)methyl]propan-2-amine
CID 62290830
3-(2-ethoxy-3-pyridinyl)-2-methylpyrazolo[1,5-a]pyrimidine
CID 162634684
propan-2-yl 3-[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]sulfanylpropaneperoxoate
CID 138726755
5-(2-ethoxy-3-pyridinyl)-3-methyl-N-[(4-methyl-4H-imidazol-2-yl)methyl]-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-amine
CID 155768026
3-(2-ethoxy-3-pyridinyl)-6-(1-methylimidazol-2-yl)pyridazine
CID 121497129
2-(2-ethoxy-3-pyridinyl)-N-[(2-fluoro-3-pyridinyl)methyl]-7-methyl-5-propan-2-ylimidazo[1,5-b]pyridazin-4-amine
CID 135147648
2-methylprop-1-enyl 3-[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]sulfanylpropanoate
CID 142604660
3-[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazolo[4,5-b]pyridin-7-yl]sulfanyl-1-(4-methylpentan-2-yloxy)propan-1-ol
CID 138746785
3-chloro-6-(2-ethoxy-3-pyridinyl)pyridazine
CID 156502502

Frequently Asked Questions

What is the IUPAC name of 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine?
The IUPAC name of 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine (CID 175198544) is 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine.
What is the SMILES notation for 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine?
The canonical SMILES for 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine is CCOc1ncccc1-c1c(Cc2cccnc2C(F)F)c(C)nn1C(C)C.
What is the InChIKey of 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine?
The InChIKey is LSIMIQNUFGYXNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24F2N4O/c1-5-28-21-16(9-7-11-25-21)19-17(14(4)26-27(19)13(2)3)12-15-8-6-10-24-18(15)20(22)23/h6-11,13,20H,5,12H2,1-4H3.
What are the key properties of 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine?
2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine has a molecular weight of 386.45 g/mol, XLogP of 5.16, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(difluoromethyl)-3-[[5-(2-ethoxy-3-pyridinyl)-3-methyl-1-propan-2-ylpyrazol-4-yl]methyl]pyridine is sourced from PubChem (CID 175198544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).