N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide

C26H23F4N5O2 — CID 66695601

IUPACN-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H23F4N5O2/c1-37-23-12-16(25(36)33-18-7-8-18)4-9-19(23)22-14-32-24-21(31-11-10-26(28,29)30)13-20(34-35(22)24)15-2-5-17(27)6-3-15/h2-6,9,12-14,18,31H,7-8,10-11H2,1H3,(H,33,36)
InChIKeyRNNKRNRRFLGZDJ-UHFFFAOYSA-N
MW513.50 g/mol
LogP5.47
Rot. Bonds8

About N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide

N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide (PubChem CID 66695601) has the molecular formula C26H23F4N5O2 and a molecular weight of 513.50 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide
PubChem CID66695601
Molecular FormulaC26H23F4N5O2
Molecular Weight513.50 g/mol
Exact Mass513.18
IUPAC NameN-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccc(F)cc3)nn12
InChIInChI=1S/C26H23F4N5O2/c1-37-23-12-16(25(36)33-18-7-8-18)4-9-19(23)22-14-32-24-21(31-11-10-26(28,29)30)13-20(34-35(22)24)15-2-5-17(27)6-3-15/h2-6,9,12-14,18,31H,7-8,10-11H2,1H3,(H,33,36)
InChIKeyRNNKRNRRFLGZDJ-UHFFFAOYSA-N
XLogP5.47
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.50
LogP ≤ 55.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide (CID 66695601) is N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide is COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(F)(F)F)cc(-c3ccc(F)cc3)nn12.
What is the InChIKey of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide?
The InChIKey is RNNKRNRRFLGZDJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23F4N5O2/c1-37-23-12-16(25(36)33-18-7-8-18)4-9-19(23)22-14-32-24-21(31-11-10-26(28,29)30)13-20(34-35(22)24)15-2-5-17(27)6-3-15/h2-6,9,12-14,18,31H,7-8,10-11H2,1H3,(H,33,36).
What are the key properties of N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide?
N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide has a molecular weight of 513.50 g/mol, XLogP of 5.47, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(4-fluorophenyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-3-methoxybenzamide is sourced from PubChem (CID 66695601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).