2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol

C20H18F3N5O — CID 122510767

IUPAC2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C20H18F3N5O/c1-20(2,29)15-9-24-17-8-7-14(26-28(15)17)19-18(12-3-5-13(21)6-4-12)25-11-27(19)10-16(22)23/h3-9,11,16,29H,10H2,1-2H3
InChIKeyRRWODQALHOJALX-UHFFFAOYSA-N
MW401.39 g/mol
LogP3.89
Rot. Bonds5

About 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol

2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol (PubChem CID 122510767) has the molecular formula C20H18F3N5O and a molecular weight of 401.39 g/mol. Its IUPAC name is 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
PubChem CID122510767
Molecular FormulaC20H18F3N5O
Molecular Weight401.39 g/mol
Exact Mass401.15
IUPAC Name2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol
SMILESCC(C)(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12
InChIInChI=1S/C20H18F3N5O/c1-20(2,29)15-9-24-17-8-7-14(26-28(15)17)19-18(12-3-5-13(21)6-4-12)25-11-27(19)10-16(22)23/h3-9,11,16,29H,10H2,1-2H3
InChIKeyRRWODQALHOJALX-UHFFFAOYSA-N
XLogP3.89
TPSA68.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.39
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
The IUPAC name of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol (CID 122510767) is 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol.
What is the SMILES notation for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
The canonical SMILES for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol is CC(C)(O)c1cnc2ccc(-c3c(-c4ccc(F)cc4)ncn3CC(F)F)nn12.
What is the InChIKey of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
The InChIKey is RRWODQALHOJALX-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O/c1-20(2,29)15-9-24-17-8-7-14(26-28(15)17)19-18(12-3-5-13(21)6-4-12)25-11-27(19)10-16(22)23/h3-9,11,16,29H,10H2,1-2H3.
What are the key properties of 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol?
2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol has a molecular weight of 401.39 g/mol, XLogP of 3.89, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[3-(2,2-difluoroethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazin-3-yl]propan-2-ol is sourced from PubChem (CID 122510767), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).