(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol

C18H19F2N3O2 — CID 137487633

IUPAC(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol
SMILESC=C(/C=C(O)\C(F)=C(/C)F)CCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C18H19F2N3O2/c1-12(10-17(24)18(20)13(2)19)4-3-9-25-14-5-6-15(21-11-14)16-7-8-22-23-16/h5-8,10-11,24H,1,3-4,9H2,2H3,(H,22,23)/b17-10+,18-13-
InChIKeyBOQZFHGBJIIZLV-BHOLAXHDSA-N
MW347.37 g/mol
LogP4.80
Rot. Bonds8

About (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol

(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol (PubChem CID 137487633) has the molecular formula C18H19F2N3O2 and a molecular weight of 347.37 g/mol. Its IUPAC name is (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol.

Molecular Properties

Compound Name(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol
PubChem CID137487633
Molecular FormulaC18H19F2N3O2
Molecular Weight347.37 g/mol
Exact Mass347.14
IUPAC Name(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol
SMILESC=C(/C=C(O)\C(F)=C(/C)F)CCCOc1ccc(-c2ccn[nH]2)nc1
InChIInChI=1S/C18H19F2N3O2/c1-12(10-17(24)18(20)13(2)19)4-3-9-25-14-5-6-15(21-11-14)16-7-8-22-23-16/h5-8,10-11,24H,1,3-4,9H2,2H3,(H,22,23)/b17-10+,18-13-
InChIKeyBOQZFHGBJIIZLV-BHOLAXHDSA-N
XLogP4.80
TPSA71.03 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.37
LogP ≤ 54.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'acyclic_C=C-O', 'substructure': 'N/A'}, {'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'polyene', 'substructure': 'N/A'}

Analyze (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol?
The IUPAC name of (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol (CID 137487633) is (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol.
What is the SMILES notation for (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol?
The canonical SMILES for (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol is C=C(/C=C(O)\C(F)=C(/C)F)CCCOc1ccc(-c2ccn[nH]2)nc1.
What is the InChIKey of (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol?
The InChIKey is BOQZFHGBJIIZLV-BHOLAXHDSA-N. The full InChI is InChI=1S/C18H19F2N3O2/c1-12(10-17(24)18(20)13(2)19)4-3-9-25-14-5-6-15(21-11-14)16-7-8-22-23-16/h5-8,10-11,24H,1,3-4,9H2,2H3,(H,22,23)/b17-10+,18-13-.
What are the key properties of (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol?
(2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol has a molecular weight of 347.37 g/mol, XLogP of 4.80, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2Z,4E)-2,3-difluoro-6-methylidene-9-[[6-(1H-pyrazol-5-yl)-3-pyridinyl]oxy]nona-2,4-dien-4-ol is sourced from PubChem (CID 137487633), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).