3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide

C17H15F6N5O2 — CID 155338013

IUPAC3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide
SMILESCC(Oc1ncc(-c2cnc(NNC(=O)C3CC(F)(F)C3)cn2)cc1F)C(F)(F)F
InChIInChI=1S/C17H15F6N5O2/c1-8(17(21,22)23)30-15-11(18)2-9(5-26-15)12-6-25-13(7-24-12)27-28-14(29)10-3-16(19,20)4-10/h2,5-8,10H,3-4H2,1H3,(H,25,27)(H,28,29)
InChIKeyBUJBFOMXEVYVNB-UHFFFAOYSA-N
MW435.33 g/mol
LogP3.50
Rot. Bonds6

About 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide

3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide (PubChem CID 155338013) has the molecular formula C17H15F6N5O2 and a molecular weight of 435.33 g/mol. Its IUPAC name is 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide.

Molecular Properties

Compound Name3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide
PubChem CID155338013
Molecular FormulaC17H15F6N5O2
Molecular Weight435.33 g/mol
Exact Mass435.11
IUPAC Name3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide
SMILESCC(Oc1ncc(-c2cnc(NNC(=O)C3CC(F)(F)C3)cn2)cc1F)C(F)(F)F
InChIInChI=1S/C17H15F6N5O2/c1-8(17(21,22)23)30-15-11(18)2-9(5-26-15)12-6-25-13(7-24-12)27-28-14(29)10-3-16(19,20)4-10/h2,5-8,10H,3-4H2,1H3,(H,25,27)(H,28,29)
InChIKeyBUJBFOMXEVYVNB-UHFFFAOYSA-N
XLogP3.50
TPSA89.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.33
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide?
The IUPAC name of 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide (CID 155338013) is 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide.
What is the SMILES notation for 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide?
The canonical SMILES for 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide is CC(Oc1ncc(-c2cnc(NNC(=O)C3CC(F)(F)C3)cn2)cc1F)C(F)(F)F.
What is the InChIKey of 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide?
The InChIKey is BUJBFOMXEVYVNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15F6N5O2/c1-8(17(21,22)23)30-15-11(18)2-9(5-26-15)12-6-25-13(7-24-12)27-28-14(29)10-3-16(19,20)4-10/h2,5-8,10H,3-4H2,1H3,(H,25,27)(H,28,29).
What are the key properties of 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide?
3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide has a molecular weight of 435.33 g/mol, XLogP of 3.50, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,3-difluoro-N'-[5-[5-fluoro-6-(1,1,1-trifluoropropan-2-yloxy)-3-pyridinyl]pyrazin-2-yl]cyclobutane-1-carbohydrazide is sourced from PubChem (CID 155338013), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).