1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone

C22H25F2N7O — CID 123526210

IUPAC1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=NN3C(=NC(C)C3Cc3c(F)cc4c(cnn4C)c3F)C=C2)CC1
InChIInChI=1S/C22H25F2N7O/c1-13-18(10-15-17(23)11-19-16(22(15)24)12-25-28(19)3)31-20(26-13)4-5-21(27-31)30-8-6-29(7-9-30)14(2)32/h4-5,11-13,18H,6-10H2,1-3H3
InChIKeyYSGRHIQQKVBYNC-UHFFFAOYSA-N
MW441.49 g/mol
LogP1.91
Rot. Bonds2

About 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone

1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone (PubChem CID 123526210) has the molecular formula C22H25F2N7O and a molecular weight of 441.49 g/mol. Its IUPAC name is 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone
PubChem CID123526210
Molecular FormulaC22H25F2N7O
Molecular Weight441.49 g/mol
Exact Mass441.21
IUPAC Name1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone
SMILESCC(=O)N1CCN(C2=NN3C(=NC(C)C3Cc3c(F)cc4c(cnn4C)c3F)C=C2)CC1
InChIInChI=1S/C22H25F2N7O/c1-13-18(10-15-17(23)11-19-16(22(15)24)12-25-28(19)3)31-20(26-13)4-5-21(27-31)30-8-6-29(7-9-30)14(2)32/h4-5,11-13,18H,6-10H2,1-3H3
InChIKeyYSGRHIQQKVBYNC-UHFFFAOYSA-N
XLogP1.91
TPSA69.33 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.49
LogP ≤ 51.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone with MolForge

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Related Compounds

6-{[(3r)-1-(Cyclopropylcarbonyl)pyrrolidin-3-Yl]methyl}-5-[4-(1-Methyl-1h-Indazol-5-Yl)phenyl]-4,6-Diazaspiro[2.4]hept-4-En-7-One
CID 117999157
3-(2,6-Diethylphenyl)-5-[3-(2,6-difluorophenyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 137198123
2-[3-(3-Fluorophenyl)indazol-1-yl]-1-piperidin-1-ylethanone
CID 56837421
3-(2,6-diethylphenyl)-5-[(3R)-3-(3,5-difluoro-2-pyridinyl)pyrrolidine-1-carbonyl]-6-hydroxy-2-(1-methylpyrazol-3-yl)pyrimidin-4-one
CID 168293355
1,1,1,3,3,3-Hexafluoropropan-2-yl 4-[bis(1-methylindazol-5-yl)methyl]piperazine-1-carboxylate
CID 71656798
6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[2-fluoro-4-(1-methylindazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 73388705
7-(1-Ethylpiperidin-4-yl)-9-methyl-2-(2-methylindazol-5-yl)pyrido[1,2-a]pyrimidin-4-one
CID 89741432
6-[[1-(Cyclopropanecarbonyl)azetidin-3-yl]methyl]-5-[4-(1-methylindazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 89993608
6-[[(3S)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[4-(1-methylindazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 117992981
6-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-5-[3-fluoro-4-(1-methylindazol-5-yl)phenyl]-4,6-diazaspiro[2.4]hept-4-en-7-one
CID 117993412
8-acetyl-3-[[(3R)-1-(cyclopropanecarbonyl)pyrrolidin-3-yl]methyl]-2-[4-(1-methylindazol-5-yl)phenyl]-1,3,8-triazaspiro[4.5]dec-1-en-4-one
CID 117999184
(R)-1-((1-(cyclopropanecarbonyl)pyrrolidin-3-yl)methyl)-4,4-dimethyl-2-(4-(1-methyl-1H-indazol-5-yl)phenyl)-1H-imidazol-5(4H)-one
CID 118125468

Frequently Asked Questions

What is the IUPAC name of 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone?
The IUPAC name of 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone (CID 123526210) is 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone.
What is the SMILES notation for 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone?
The canonical SMILES for 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone is CC(=O)N1CCN(C2=NN3C(=NC(C)C3Cc3c(F)cc4c(cnn4C)c3F)C=C2)CC1.
What is the InChIKey of 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone?
The InChIKey is YSGRHIQQKVBYNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F2N7O/c1-13-18(10-15-17(23)11-19-16(22(15)24)12-25-28(19)3)31-20(26-13)4-5-21(27-31)30-8-6-29(7-9-30)14(2)32/h4-5,11-13,18H,6-10H2,1-3H3.
What are the key properties of 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone?
1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone has a molecular weight of 441.49 g/mol, XLogP of 1.91, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[3-[(4,6-difluoro-1-methylindazol-5-yl)methyl]-2-methyl-2,3-dihydroimidazo[1,2-b]pyridazin-6-yl]piperazin-1-yl]ethanone is sourced from PubChem (CID 123526210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).