1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid

C15H14F2N4O2 — CID 156825934

IUPAC1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc(N3CC4[C@H](C3)C4(F)F)cn2)c1
InChIInChI=1S/C15H14F2N4O2/c16-15(17)12-7-20(8-13(12)15)11-2-1-10(18-4-11)6-21-5-9(3-19-21)14(22)23/h1-5,12-13H,6-8H2,(H,22,23)/t12-,13?/m0/s1
InChIKeyZFOZPZSTKWFUEK-UEWDXFNNSA-N
MW320.30 g/mol
LogP1.73
Rot. Bonds4

About 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid

1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 156825934) has the molecular formula C15H14F2N4O2 and a molecular weight of 320.30 g/mol. Its IUPAC name is 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid
PubChem CID156825934
Molecular FormulaC15H14F2N4O2
Molecular Weight320.30 g/mol
Exact Mass320.11
IUPAC Name1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc(N3CC4[C@H](C3)C4(F)F)cn2)c1
InChIInChI=1S/C15H14F2N4O2/c16-15(17)12-7-20(8-13(12)15)11-2-1-10(18-4-11)6-21-5-9(3-19-21)14(22)23/h1-5,12-13H,6-8H2,(H,22,23)/t12-,13?/m0/s1
InChIKeyZFOZPZSTKWFUEK-UEWDXFNNSA-N
XLogP1.73
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.30
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid (CID 156825934) is 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2ccc(N3CC4[C@H](C3)C4(F)F)cn2)c1.
What is the InChIKey of 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is ZFOZPZSTKWFUEK-UEWDXFNNSA-N. The full InChI is InChI=1S/C15H14F2N4O2/c16-15(17)12-7-20(8-13(12)15)11-2-1-10(18-4-11)6-21-5-9(3-19-21)14(22)23/h1-5,12-13H,6-8H2,(H,22,23)/t12-,13?/m0/s1.
What are the key properties of 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid?
1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 320.30 g/mol, XLogP of 1.73, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-[(5R)-6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl]-2-pyridinyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 156825934), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).