6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

C21H21FN6O2 — CID 122510659

IUPAC6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)OCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C21H21FN6O2/c1-13(2)30-10-9-27-12-25-19(14-3-5-15(22)6-4-14)20(27)16-7-8-18-24-11-17(21(23)29)28(18)26-16/h3-8,11-13H,9-10H2,1-2H3,(H2,23,29)
InChIKeySDDPIHXJSFDYMQ-UHFFFAOYSA-N
MW408.44 g/mol
LogP2.92
Rot. Bonds7

About 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide

6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510659) has the molecular formula C21H21FN6O2 and a molecular weight of 408.44 g/mol. Its IUPAC name is 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510659
Molecular FormulaC21H21FN6O2
Molecular Weight408.44 g/mol
Exact Mass408.17
IUPAC Name6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCC(C)OCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C21H21FN6O2/c1-13(2)30-10-9-27-12-25-19(14-3-5-15(22)6-4-14)20(27)16-7-8-18-24-11-17(21(23)29)28(18)26-16/h3-8,11-13H,9-10H2,1-2H3,(H2,23,29)
InChIKeySDDPIHXJSFDYMQ-UHFFFAOYSA-N
XLogP2.92
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.44
LogP ≤ 52.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510659) is 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is CC(C)OCCn1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is SDDPIHXJSFDYMQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21FN6O2/c1-13(2)30-10-9-27-12-25-19(14-3-5-15(22)6-4-14)20(27)16-7-8-18-24-11-17(21(23)29)28(18)26-16/h3-8,11-13H,9-10H2,1-2H3,(H2,23,29).
What are the key properties of 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 408.44 g/mol, XLogP of 2.92, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(4-fluorophenyl)-3-(2-propan-2-yloxyethyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).