4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

C22H21ClFN5 — CID 59759521

IUPAC4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESCc1cc(-c2nc3cc(C(C)(C)C)c(Cl)nn3c2-c2ccnc(N)c2)ccc1F
InChIInChI=1S/C22H21ClFN5/c1-12-9-13(5-6-16(12)24)19-20(14-7-8-26-17(25)10-14)29-18(27-19)11-15(21(23)28-29)22(2,3)4/h5-11H,1-4H3,(H2,25,26)
InChIKeyFLILMDADSGTATQ-UHFFFAOYSA-N
MW409.90 g/mol
LogP5.44
Rot. Bonds2

About 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine

4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (PubChem CID 59759521) has the molecular formula C22H21ClFN5 and a molecular weight of 409.90 g/mol. Its IUPAC name is 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.

Molecular Properties

Compound Name4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
PubChem CID59759521
Molecular FormulaC22H21ClFN5
Molecular Weight409.90 g/mol
Exact Mass409.15
IUPAC Name4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine
SMILESCc1cc(-c2nc3cc(C(C)(C)C)c(Cl)nn3c2-c2ccnc(N)c2)ccc1F
InChIInChI=1S/C22H21ClFN5/c1-12-9-13(5-6-16(12)24)19-20(14-7-8-26-17(25)10-14)29-18(27-19)11-15(21(23)28-29)22(2,3)4/h5-11H,1-4H3,(H2,25,26)
InChIKeyFLILMDADSGTATQ-UHFFFAOYSA-N
XLogP5.44
TPSA69.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.90
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[6-chloro-2-(4-fluorophenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine;ethane
CID 143254997
1-ethyl-3-[4-[2-(4-fluoro-3-methylphenyl)-6-(methylamino)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]urea
CID 59759695
1-[4-[6-chloro-2-(4-fluoro-3-methylphenyl)-8-methylimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-3-ethylurea
CID 59759719
4-[5-(4-fluoro-3-methylphenyl)-1H-imidazol-2-yl]pyridin-2-amine
CID 102970517
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylbenzamide
CID 59759575
4-(3,4-dimethylphenyl)pyridin-2-amine
CID 82398202
N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]morpholine-4-carboxamide;hydrochloride
CID 69318749
3-cyclopropyl-N-[4-[2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-4-methylbenzamide
CID 163959039
N-[4-[2-(4-fluoro-3-methylphenyl)-7,8-dihydroimidazo[1,2-b]pyridazin-3-yl]-2-pyridinyl]-2-methylpropanamide
CID 163754139
[3-(4-fluoro-3-methylphenyl)pyrazin-2-yl]hydrazine
CID 112559565
4-(4-fluoro-3-methylphenyl)-5-imidazo[1,2-a]pyridin-6-yl-1,3-thiazol-2-amine
CID 122510871
7-chloro-6-[2-(4-fluoro-3-methylphenyl)-3-pyridinyl]imidazo[1,2-a]pyridine
CID 90096306

Frequently Asked Questions

What is the IUPAC name of 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The IUPAC name of 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine (CID 59759521) is 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine.
What is the SMILES notation for 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The canonical SMILES for 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is Cc1cc(-c2nc3cc(C(C)(C)C)c(Cl)nn3c2-c2ccnc(N)c2)ccc1F.
What is the InChIKey of 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
The InChIKey is FLILMDADSGTATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21ClFN5/c1-12-9-13(5-6-16(12)24)19-20(14-7-8-26-17(25)10-14)29-18(27-19)11-15(21(23)28-29)22(2,3)4/h5-11H,1-4H3,(H2,25,26).
What are the key properties of 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine?
4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine has a molecular weight of 409.90 g/mol, XLogP of 5.44, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[7-tert-butyl-6-chloro-2-(4-fluoro-3-methylphenyl)imidazo[1,2-b]pyridazin-3-yl]pyridin-2-amine is sourced from PubChem (CID 59759521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).