3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine

C19H15F2N7 — CID 69077400

IUPAC3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCC(c1c(F)cc2[nH]ncc2c1F)c1cnc2ccc(-c3cnn(C)c3)nn12
InChIInChI=1S/C19H15F2N7/c1-10(18-13(20)5-15-12(19(18)21)7-23-25-15)16-8-22-17-4-3-14(26-28(16)17)11-6-24-27(2)9-11/h3-10H,1-2H3,(H,23,25)
InChIKeySUSLMSXLVKOVKH-UHFFFAOYSA-N
MW379.37 g/mol
LogP3.44
Rot. Bonds3

About 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine

3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine (PubChem CID 69077400) has the molecular formula C19H15F2N7 and a molecular weight of 379.37 g/mol. Its IUPAC name is 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine.

Molecular Properties

Compound Name3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
PubChem CID69077400
Molecular FormulaC19H15F2N7
Molecular Weight379.37 g/mol
Exact Mass379.14
IUPAC Name3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine
SMILESCC(c1c(F)cc2[nH]ncc2c1F)c1cnc2ccc(-c3cnn(C)c3)nn12
InChIInChI=1S/C19H15F2N7/c1-10(18-13(20)5-15-12(19(18)21)7-23-25-15)16-8-22-17-4-3-14(26-28(16)17)11-6-24-27(2)9-11/h3-10H,1-2H3,(H,23,25)
InChIKeySUSLMSXLVKOVKH-UHFFFAOYSA-N
XLogP3.44
TPSA76.69 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.37
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[4-[3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 69078688
3-[1-(6-fluoro-1H-indazol-5-yl)ethyl]-6-[1-(1-methylpiperidin-4-yl)pyrazol-4-yl]imidazo[1,2-b]pyridazine
CID 69079500
2-[5-[1-[6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazin-3-yl]ethyl]indazol-1-yl]ethanol
CID 76640941
5,7-difluoro-3-(1-methylpyrazol-4-yl)-6-[(1R)-1-[6-(1-nitrosoethyl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethyl]quinoline
CID 123905058
1-[3-[1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethanone
CID 88920277
5,7-difluoro-6-[1-[5-(1-methylpyrazol-4-yl)imidazo[4,5-b]pyrazin-3-yl]ethyl]quinoline
CID 141370291
5-fluoro-7-(methoxymethoxy)-4-(1-methylpyrazol-4-yl)-1H-indazole
CID 165117231
[1-[3-[1-(4,6-difluoro-1-methylindazol-5-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]ethylideneamino]urea
CID 78153614
4-[3-[1-(5,7-difluoroquinolin-6-yl)ethyl]imidazo[1,2-b]pyridazin-6-yl]-3-methylpiperazin-2-ol
CID 123698169
(NE)-N-[1-[3-[(1R)-1-[5,7-difluoro-3-(1-methylpyrazol-4-yl)quinolin-6-yl]ethyl]-[1,2,4]triazolo[4,3-b]pyridazin-6-yl]ethylidene]hydroxylamine
CID 140622872
1-[6-(1-methylpyrazol-4-yl)-[1,2,4]triazolo[4,3-b]pyridazin-3-yl]ethanol
CID 76618478
2-[4-[3-[1-[2-fluoro-5-methanimidoyl-4-(methylamino)phenyl]ethyl]imidazo[1,2-b]pyridazin-6-yl]pyrazol-1-yl]ethanol
CID 143854503

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The IUPAC name of 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine (CID 69077400) is 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine.
What is the SMILES notation for 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The canonical SMILES for 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine is CC(c1c(F)cc2[nH]ncc2c1F)c1cnc2ccc(-c3cnn(C)c3)nn12.
What is the InChIKey of 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
The InChIKey is SUSLMSXLVKOVKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15F2N7/c1-10(18-13(20)5-15-12(19(18)21)7-23-25-15)16-8-22-17-4-3-14(26-28(16)17)11-6-24-27(2)9-11/h3-10H,1-2H3,(H,23,25).
What are the key properties of 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine?
3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine has a molecular weight of 379.37 g/mol, XLogP of 3.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4,6-difluoro-1H-indazol-5-yl)ethyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-b]pyridazine is sourced from PubChem (CID 69077400), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).