6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane

C21H20ClFN6O2 — CID 145149066

IUPAC6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane
SMILESC[C@@H]1CCCO1.NC(=O)c1cnc2ccc(-c3[nH]cnc3-c3ccc(F)c(Cl)c3)nn12
InChIInChI=1S/C16H10ClFN6O.C5H10O/c17-9-5-8(1-2-10(9)18)14-15(22-7-21-14)11-3-4-13-20-6-12(16(19)25)24(13)23-11;1-5-3-2-4-6-5/h1-7H,(H2,19,25)(H,21,22);5H,2-4H2,1H3/t;5-/m.1/s1
InChIKeyVJJVYCWBIITVHB-QDXATWJZSA-N
MW442.88 g/mol
LogP3.86
Rot. Bonds3

About 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane

6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane (PubChem CID 145149066) has the molecular formula C21H20ClFN6O2 and a molecular weight of 442.88 g/mol. Its IUPAC name is 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane.

Molecular Properties

Compound Name6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane
PubChem CID145149066
Molecular FormulaC21H20ClFN6O2
Molecular Weight442.88 g/mol
Exact Mass442.13
IUPAC Name6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane
SMILESC[C@@H]1CCCO1.NC(=O)c1cnc2ccc(-c3[nH]cnc3-c3ccc(F)c(Cl)c3)nn12
InChIInChI=1S/C16H10ClFN6O.C5H10O/c17-9-5-8(1-2-10(9)18)14-15(22-7-21-14)11-3-4-13-20-6-12(16(19)25)24(13)23-11;1-5-3-2-4-6-5/h1-7H,(H2,19,25)(H,21,22);5H,2-4H2,1H3/t;5-/m.1/s1
InChIKeyVJJVYCWBIITVHB-QDXATWJZSA-N
XLogP3.86
TPSA111.19 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.88
LogP ≤ 53.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane?
The IUPAC name of 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane (CID 145149066) is 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane.
What is the SMILES notation for 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane?
The canonical SMILES for 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane is C[C@@H]1CCCO1.NC(=O)c1cnc2ccc(-c3[nH]cnc3-c3ccc(F)c(Cl)c3)nn12.
What is the InChIKey of 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane?
The InChIKey is VJJVYCWBIITVHB-QDXATWJZSA-N. The full InChI is InChI=1S/C16H10ClFN6O.C5H10O/c17-9-5-8(1-2-10(9)18)14-15(22-7-21-14)11-3-4-13-20-6-12(16(19)25)24(13)23-11;1-5-3-2-4-6-5/h1-7H,(H2,19,25)(H,21,22);5H,2-4H2,1H3/t;5-/m.1/s1.
What are the key properties of 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane?
6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane has a molecular weight of 442.88 g/mol, XLogP of 3.86, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[4-(3-chloro-4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxamide;(2R)-2-methyloxolane is sourced from PubChem (CID 145149066), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).