N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

C24H21F2N5O2 — CID 66693927

IUPACN-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C24H21F2N5O2/c1-13-10-14(6-9-16(13)24(32)29-15-7-8-15)19-12-28-23-18(27-2)11-21(30-31(19)23)33-20-5-3-4-17(25)22(20)26/h3-6,9-12,15,27H,7-8H2,1-2H3,(H,29,32)
InChIKeyLDCLEHWGXRNODE-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.71
Rot. Bonds6

About N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide

N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (PubChem CID 66693927) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.

Molecular Properties

Compound NameN-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
PubChem CID66693927
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC NameN-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
SMILESCNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12
InChIInChI=1S/C24H21F2N5O2/c1-13-10-14(6-9-16(13)24(32)29-15-7-8-15)19-12-28-23-18(27-2)11-21(30-31(19)23)33-20-5-3-4-17(25)22(20)26/h3-6,9-12,15,27H,7-8H2,1-2H3,(H,29,32)
InChIKeyLDCLEHWGXRNODE-UHFFFAOYSA-N
XLogP4.71
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-cyclopropyl-4-[6-(2,3-difluoro-4-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 78320750
3-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66693928
N-cyclopropyl-4-[6-[(2,3-difluorophenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 144755697
N-cyclopropyl-4-[8-[[3-(dimethylamino)-3-oxopropyl]amino]-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643542
N-cyclopropyl-4-[8-(2,3-dihydroxypropylamino)-6-(3-fluorophenoxy)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643511
N-cyclopropyl-4-[6-(3-methoxyphenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691054
N-cyclopropyl-4-[6-(3,4-difluorophenoxy)-8-(2-iminopropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 87112965
N-cyclopropyl-4-[8-[2-(dimethylamino)ethylamino]-6-pyridin-3-yloxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 118643539
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzamide;4-[6-(2,3-difluorophenoxy)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-a]pyridin-3-yl]-2-methylbenzoic acid
CID 161088628
4-[6-bromo-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-2-methylbenzamide;N-cyclopropyl-4-[6-[(6-fluoro-3-pyridinyl)oxy]-8-[(2-hydroxy-2-methylpropyl)amino]imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 158417982
N-cyclopropyl-4-[8-[(2-hydroxy-2-methylpropyl)amino]-6-(2-oxopyrrolidin-1-yl)oxyimidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691822
N-cyclopropyl-4-[6-(3-hydroxyphenyl)sulfanyl-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 66691442

Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The IUPAC name of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide (CID 66693927) is N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide.
What is the SMILES notation for N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The canonical SMILES for N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is CNc1cc(Oc2cccc(F)c2F)nn2c(-c3ccc(C(=O)NC4CC4)c(C)c3)cnc12.
What is the InChIKey of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
The InChIKey is LDCLEHWGXRNODE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-13-10-14(6-9-16(13)24(32)29-15-7-8-15)19-12-28-23-18(27-2)11-21(30-31(19)23)33-20-5-3-4-17(25)22(20)26/h3-6,9-12,15,27H,7-8H2,1-2H3,(H,29,32).
What are the key properties of N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide?
N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide has a molecular weight of 449.46 g/mol, XLogP of 4.71, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-4-[6-(2,3-difluorophenoxy)-8-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide is sourced from PubChem (CID 66693927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).