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

C26H26F4N6O3 — CID 158765417

IUPAC[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1.OCc1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C15H14F2N4O2.C11H12F2N2O/c16-15(17)11-7-20(8-12(11)15)13-2-1-9(3-18-13)5-21-6-10(4-19-21)14(22)23;12-11(13)8-4-15(5-9(8)11)10-2-1-7(6-16)3-14-10/h1-4,6,11-12H,5,7-8H2,(H,22,23);1-3,8-9,16H,4-6H2
InChIKeyIPESTDBDKWFEHW-UHFFFAOYSA-N
MW546.53 g/mol
LogP3.00
Rot. Bonds6

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

[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid (PubChem CID 158765417) has the molecular formula C26H26F4N6O3 and a molecular weight of 546.53 g/mol. Its IUPAC name is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
PubChem CID158765417
Molecular FormulaC26H26F4N6O3
Molecular Weight546.53 g/mol
Exact Mass546.20
IUPAC Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
SMILESO=C(O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1.OCc1ccc(N2CC3C(C2)C3(F)F)nc1
InChIInChI=1S/C15H14F2N4O2.C11H12F2N2O/c16-15(17)11-7-20(8-12(11)15)13-2-1-9(3-18-13)5-21-6-10(4-19-21)14(22)23;12-11(13)8-4-15(5-9(8)11)10-2-1-7(6-16)3-14-10/h1-4,6,11-12H,5,7-8H2,(H,22,23);1-3,8-9,16H,4-6H2
InChIKeyIPESTDBDKWFEHW-UHFFFAOYSA-N
XLogP3.00
TPSA107.61 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500546.53
LogP ≤ 53.00
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid with MolForge

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Launch Full Analysis

Related Compounds

1-[(6-Fluoropyridin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(6-pyrrolidin-1-ylpyridin-3-yl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 121365098
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)pyridin-3-yl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 129097162
1-[[6-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129097315
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-4-(trifluoromethyl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 129098626
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(difluoromethyl)pyrazole-4-carboxylic acid
CID 153560465
1-[[6-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-fluoro-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826119
1-[[6-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-(hydroxymethyl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826265
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-2-(trifluoromethoxy)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid
CID 156826405
1-[[6-(3-Azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[(6-fluoro-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 157216879
[6-(6,6-Difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methanol;ethyl 1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]methyl]pyrazole-4-carboxylate
CID 157241243
3-Cyclopropyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carbaldehyde;3-cyclopropyl-1-[5-(trifluoromethyl)pyridin-2-yl]pyrazole-4-carboxylic acid
CID 157579730
1-[(6-fluoro-3-pyridinyl)methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid;1-[[6-[(3S)-3-methylpyrrolidin-1-yl]-3-pyridinyl]methyl]-3-(trifluoromethyl)pyrazole-4-carboxylic acid
CID 159276350

Frequently Asked Questions

What is the IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid (CID 158765417) is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The canonical SMILES for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid is O=C(O)c1cnn(Cc2ccc(N3CC4C(C3)C4(F)F)nc2)c1.OCc1ccc(N2CC3C(C2)C3(F)F)nc1.
What is the InChIKey of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
The InChIKey is IPESTDBDKWFEHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14F2N4O2.C11H12F2N2O/c16-15(17)11-7-20(8-12(11)15)13-2-1-9(3-18-13)5-21-6-10(4-19-21)14(22)23;12-11(13)8-4-15(5-9(8)11)10-2-1-7(6-16)3-14-10/h1-4,6,11-12H,5,7-8H2,(H,22,23);1-3,8-9,16H,4-6H2.
What are the key properties of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid?
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid has a molecular weight of 546.53 g/mol, XLogP of 3.00, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methanol;1-[[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-3-pyridinyl]methyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 158765417), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).