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

C22H21FN6O2 — CID 122510914

IUPAC6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOCC(C1CC1)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C22H21FN6O2/c1-31-11-18(13-2-3-13)28-12-26-20(14-4-6-15(23)7-5-14)21(28)16-8-9-19-25-10-17(22(24)30)29(19)27-16/h4-10,12-13,18H,2-3,11H2,1H3,(H2,24,30)
InChIKeyNLUJQDXABWQMJS-UHFFFAOYSA-N
MW420.45 g/mol
LogP3.10
Rot. Bonds7

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

6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (PubChem CID 122510914) has the molecular formula C22H21FN6O2 and a molecular weight of 420.45 g/mol. Its IUPAC name is 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.

Molecular Properties

Compound Name6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
PubChem CID122510914
Molecular FormulaC22H21FN6O2
Molecular Weight420.45 g/mol
Exact Mass420.17
IUPAC Name6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
SMILESCOCC(C1CC1)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1
InChIInChI=1S/C22H21FN6O2/c1-31-11-18(13-2-3-13)28-12-26-20(14-4-6-15(23)7-5-14)21(28)16-8-9-19-25-10-17(22(24)30)29(19)27-16/h4-10,12-13,18H,2-3,11H2,1H3,(H2,24,30)
InChIKeyNLUJQDXABWQMJS-UHFFFAOYSA-N
XLogP3.10
TPSA100.33 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.45
LogP ≤ 53.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The IUPAC name of 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide (CID 122510914) is 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide.
What is the SMILES notation for 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The canonical SMILES for 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is COCC(C1CC1)n1cnc(-c2ccc(F)cc2)c1-c1ccc2ncc(C(N)=O)n2n1.
What is the InChIKey of 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
The InChIKey is NLUJQDXABWQMJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21FN6O2/c1-31-11-18(13-2-3-13)28-12-26-20(14-4-6-15(23)7-5-14)21(28)16-8-9-19-25-10-17(22(24)30)29(19)27-16/h4-10,12-13,18H,2-3,11H2,1H3,(H2,24,30).
What are the key properties of 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide?
6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide has a molecular weight of 420.45 g/mol, XLogP of 3.10, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-cyclopropyl-2-methoxyethyl)-5-(4-fluorophenyl)imidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide is sourced from PubChem (CID 122510914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).