2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol

C19H16F4N6O — CID 137426963

IUPAC2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol
SMILES[H]/N=C/C=N\Nc1ccc(C(F)(F)C(O)(Cc2ccn[nH]2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H16F4N6O/c20-12-1-3-15(16(21)9-12)18(30,10-13-5-7-26-28-13)19(22,23)17-4-2-14(11-25-17)29-27-8-6-24/h1-9,11,24,29-30H,10H2,(H,26,28)/b24-6+,27-8-
InChIKeyZAHWLFQISFQOPU-YKTRNKAUSA-N
MW420.37 g/mol
LogP3.35
Rot. Bonds8

About 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol

2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol (PubChem CID 137426963) has the molecular formula C19H16F4N6O and a molecular weight of 420.37 g/mol. Its IUPAC name is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol.

Molecular Properties

Compound Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol
PubChem CID137426963
Molecular FormulaC19H16F4N6O
Molecular Weight420.37 g/mol
Exact Mass420.13
IUPAC Name2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol
SMILES[H]/N=C/C=N\Nc1ccc(C(F)(F)C(O)(Cc2ccn[nH]2)c2ccc(F)cc2F)nc1
InChIInChI=1S/C19H16F4N6O/c20-12-1-3-15(16(21)9-12)18(30,10-13-5-7-26-28-13)19(22,23)17-4-2-14(11-25-17)29-27-8-6-24/h1-9,11,24,29-30H,10H2,(H,26,28)/b24-6+,27-8-
InChIKeyZAHWLFQISFQOPU-YKTRNKAUSA-N
XLogP3.35
TPSA110.04 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.37
LogP ≤ 53.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
The IUPAC name of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol (CID 137426963) is 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol.
What is the SMILES notation for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
The canonical SMILES for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol is [H]/N=C/C=N\Nc1ccc(C(F)(F)C(O)(Cc2ccn[nH]2)c2ccc(F)cc2F)nc1.
What is the InChIKey of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
The InChIKey is ZAHWLFQISFQOPU-YKTRNKAUSA-N. The full InChI is InChI=1S/C19H16F4N6O/c20-12-1-3-15(16(21)9-12)18(30,10-13-5-7-26-28-13)19(22,23)17-4-2-14(11-25-17)29-27-8-6-24/h1-9,11,24,29-30H,10H2,(H,26,28)/b24-6+,27-8-.
What are the key properties of 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol?
2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol has a molecular weight of 420.37 g/mol, XLogP of 3.35, 8 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4-difluorophenyl)-1,1-difluoro-1-[5-[(2Z)-2-(2-iminoethylidene)hydrazinyl]-2-pyridinyl]-3-(1H-pyrazol-5-yl)propan-2-ol is sourced from PubChem (CID 137426963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).