methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate

C17H19FN4O2 — CID 140939224

IUPACmethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(C)F)nc2)c1
InChIInChI=1S/C17H19FN4O2/c1-17(18)13-9-21(10-14(13)17)15-4-3-11(5-19-15)7-22-8-12(6-20-22)16(23)24-2/h3-6,8,13-14H,7,9-10H2,1-2H3
InChIKeyLFNHCWFVONPVDB-UHFFFAOYSA-N
MW330.36 g/mol
LogP1.91
Rot. Bonds4

About methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate

methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate (PubChem CID 140939224) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate.

Molecular Properties

Compound Namemethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
PubChem CID140939224
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Namemethyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate
SMILESCOC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(C)F)nc2)c1
InChIInChI=1S/C17H19FN4O2/c1-17(18)13-9-21(10-14(13)17)15-4-3-11(5-19-15)7-22-8-12(6-20-22)16(23)24-2/h3-6,8,13-14H,7,9-10H2,1-2H3
InChIKeyLFNHCWFVONPVDB-UHFFFAOYSA-N
XLogP1.91
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate with MolForge

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The IUPAC name of methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate (CID 140939224) is methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate.
What is the SMILES notation for methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The canonical SMILES for methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate is COC(=O)c1cnn(Cc2ccc(N3CC4C(C3)C4(C)F)nc2)c1.
What is the InChIKey of methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
The InChIKey is LFNHCWFVONPVDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-17(18)13-9-21(10-14(13)17)15-4-3-11(5-19-15)7-22-8-12(6-20-22)16(23)24-2/h3-6,8,13-14H,7,9-10H2,1-2H3.
What are the key properties of methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate?
methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate has a molecular weight of 330.36 g/mol, XLogP of 1.91, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[[6-(6-fluoro-6-methyl-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylate is sourced from PubChem (CID 140939224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).