ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate

C25H20F2N6O2 — CID 175932645

IUPACethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3[nH]c(CNc4cccc(F)c4)nc3-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H20F2N6O2/c1-2-35-25(34)20-13-29-22-11-10-19(32-33(20)22)24-23(15-6-8-16(26)9-7-15)30-21(31-24)14-28-18-5-3-4-17(27)12-18/h3-13,28H,2,14H2,1H3,(H,30,31)
InChIKeyWFXMYWXFAKDSNZ-UHFFFAOYSA-N
MW474.47 g/mol
LogP4.85
Rot. Bonds7

About ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate

ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate (PubChem CID 175932645) has the molecular formula C25H20F2N6O2 and a molecular weight of 474.47 g/mol. Its IUPAC name is ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate
PubChem CID175932645
Molecular FormulaC25H20F2N6O2
Molecular Weight474.47 g/mol
Exact Mass474.16
IUPAC Nameethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate
SMILESCCOC(=O)c1cnc2ccc(-c3[nH]c(CNc4cccc(F)c4)nc3-c3ccc(F)cc3)nn12
InChIInChI=1S/C25H20F2N6O2/c1-2-35-25(34)20-13-29-22-11-10-19(32-33(20)22)24-23(15-6-8-16(26)9-7-15)30-21(31-24)14-28-18-5-3-4-17(27)12-18/h3-13,28H,2,14H2,1H3,(H,30,31)
InChIKeyWFXMYWXFAKDSNZ-UHFFFAOYSA-N
XLogP4.85
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500474.47
LogP ≤ 54.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate with MolForge

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Related Compounds

3-fluoro-N-[[5-(1-propan-2-ylpyrazol-3-yl)-4-quinoxalin-6-yl-1H-imidazol-2-yl]methyl]aniline
CID 137394459
N-[[4-[3-(2-aminoethoxy)quinolin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-3-fluoroaniline
CID 166923603
6-[5-(4-fluorophenyl)-3-methylimidazol-4-yl]imidazo[1,2-b]pyridazine-3-carboxamide
CID 122510893
ethyl 6-[2-(3-fluorophenyl)piperidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 66684898
ethyl 6-[2,2,3,3,4,4-hexadeuterio-5-(3-fluorophenyl)pyrrolidin-1-yl]imidazo[1,2-b]pyridazine-3-carboxylate
CID 87106029
methyl 5-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methylamino]-2-fluorobenzoate
CID 166923615
ethyl 6-[(5-fluoro-2-hydroxyphenyl)methyl-methylamino]imidazo[1,2-b]pyridazine-3-carboxylate
CID 118256556
ethyl 2-tert-butyl-5-(4-fluorophenyl)pyrazolo[1,5-a]pyrimidine-7-carboxylate
CID 42877159
N-[[4-[3-(2-aminoethoxy)quinoxalin-6-yl]-5-(6-methyl-2-pyridinyl)-1H-imidazol-2-yl]methyl]-5-fluoropyridin-3-amine
CID 166923207
6-(4-fluorophenyl)imidazo[1,2-b]pyridazine-3-carboxylic acid
CID 116854352
ethyl N-[4-[(3-fluoroanilino)methyl]-2,6-dimethylphenyl]carbamate
CID 11716670
ethyl 7-fluoroimidazo[1,2-a]pyridine-3-carboxylate
CID 67259301

Frequently Asked Questions

What is the IUPAC name of ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The IUPAC name of ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate (CID 175932645) is ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate.
What is the SMILES notation for ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The canonical SMILES for ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate is CCOC(=O)c1cnc2ccc(-c3[nH]c(CNc4cccc(F)c4)nc3-c3ccc(F)cc3)nn12.
What is the InChIKey of ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
The InChIKey is WFXMYWXFAKDSNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H20F2N6O2/c1-2-35-25(34)20-13-29-22-11-10-19(32-33(20)22)24-23(15-6-8-16(26)9-7-15)30-21(31-24)14-28-18-5-3-4-17(27)12-18/h3-13,28H,2,14H2,1H3,(H,30,31).
What are the key properties of ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate?
ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate has a molecular weight of 474.47 g/mol, XLogP of 4.85, 7 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-[2-[(3-fluoroanilino)methyl]-4-(4-fluorophenyl)-1H-imidazol-5-yl]imidazo[1,2-b]pyridazine-3-carboxylate is sourced from PubChem (CID 175932645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).