(3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol

C19H12F5N5O — CID 123838717

IUPAC(3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol
SMILESOC(Nc1cnc2ccc(-c3ccccc3C(F)(F)F)nn12)c1ncc(F)cc1F
InChIInChI=1S/C19H12F5N5O/c20-10-7-13(21)17(26-8-10)18(30)27-16-9-25-15-6-5-14(28-29(15)16)11-3-1-2-4-12(11)19(22,23)24/h1-9,18,27,30H
InChIKeyRRXBVQJOLXAWDI-UHFFFAOYSA-N
MW421.33 g/mol
LogP4.19
Rot. Bonds4

About (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol

(3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol (PubChem CID 123838717) has the molecular formula C19H12F5N5O and a molecular weight of 421.33 g/mol. Its IUPAC name is (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol.

Molecular Properties

Compound Name(3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol
PubChem CID123838717
Molecular FormulaC19H12F5N5O
Molecular Weight421.33 g/mol
Exact Mass421.10
IUPAC Name(3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol
SMILESOC(Nc1cnc2ccc(-c3ccccc3C(F)(F)F)nn12)c1ncc(F)cc1F
InChIInChI=1S/C19H12F5N5O/c20-10-7-13(21)17(26-8-10)18(30)27-16-9-25-15-6-5-14(28-29(15)16)11-3-1-2-4-12(11)19(22,23)24/h1-9,18,27,30H
InChIKeyRRXBVQJOLXAWDI-UHFFFAOYSA-N
XLogP4.19
TPSA75.34 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.33
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol?
The IUPAC name of (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol (CID 123838717) is (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol.
What is the SMILES notation for (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol?
The canonical SMILES for (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol is OC(Nc1cnc2ccc(-c3ccccc3C(F)(F)F)nn12)c1ncc(F)cc1F.
What is the InChIKey of (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol?
The InChIKey is RRXBVQJOLXAWDI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H12F5N5O/c20-10-7-13(21)17(26-8-10)18(30)27-16-9-25-15-6-5-14(28-29(15)16)11-3-1-2-4-12(11)19(22,23)24/h1-9,18,27,30H.
What are the key properties of (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol?
(3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol has a molecular weight of 421.33 g/mol, XLogP of 4.19, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,5-difluoro-2-pyridinyl)-[[6-[2-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-3-yl]amino]methanol is sourced from PubChem (CID 123838717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).