[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol

C17H20F2N4O2 — CID 166716318

IUPAC[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1C(O)c1cc(CO)n(C)n1
InChIInChI=1S/C17H20F2N4O2/c1-9-11(16(25)14-5-10(8-24)22(2)21-14)3-4-15(20-9)23-6-12-13(7-23)17(12,18)19/h3-5,12-13,16,24-25H,6-8H2,1-2H3
InChIKeyVBEILGXUCNPITF-UHFFFAOYSA-N
MW350.37 g/mol
LogP1.40
Rot. Bonds4

About [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol

[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol (PubChem CID 166716318) has the molecular formula C17H20F2N4O2 and a molecular weight of 350.37 g/mol. Its IUPAC name is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol.

Molecular Properties

Compound Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol
PubChem CID166716318
Molecular FormulaC17H20F2N4O2
Molecular Weight350.37 g/mol
Exact Mass350.16
IUPAC Name[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol
SMILESCc1nc(N2CC3C(C2)C3(F)F)ccc1C(O)c1cc(CO)n(C)n1
InChIInChI=1S/C17H20F2N4O2/c1-9-11(16(25)14-5-10(8-24)22(2)21-14)3-4-15(20-9)23-6-12-13(7-23)17(12,18)19/h3-5,12-13,16,24-25H,6-8H2,1-2H3
InChIKeyVBEILGXUCNPITF-UHFFFAOYSA-N
XLogP1.40
TPSA74.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.37
LogP ≤ 51.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol?
The IUPAC name of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol (CID 166716318) is [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol.
What is the SMILES notation for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol?
The canonical SMILES for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol is Cc1nc(N2CC3C(C2)C3(F)F)ccc1C(O)c1cc(CO)n(C)n1.
What is the InChIKey of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol?
The InChIKey is VBEILGXUCNPITF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20F2N4O2/c1-9-11(16(25)14-5-10(8-24)22(2)21-14)3-4-15(20-9)23-6-12-13(7-23)17(12,18)19/h3-5,12-13,16,24-25H,6-8H2,1-2H3.
What are the key properties of [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol?
[6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol has a molecular weight of 350.37 g/mol, XLogP of 1.40, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(6,6-difluoro-3-azabicyclo[3.1.0]hexan-3-yl)-2-methyl-3-pyridinyl]-[5-(hydroxymethyl)-1-methylpyrazol-3-yl]methanol is sourced from PubChem (CID 166716318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).