4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide

C22H25ClFN5O2 — CID 123332043

IUPAC4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(C)(C)F)cc(Cl)nn12
InChIInChI=1S/C22H25ClFN5O2/c1-22(2,24)8-9-25-16-11-19(23)28-29-17(12-26-20(16)29)15-7-4-13(10-18(15)31-3)21(30)27-14-5-6-14/h4,7,10-12,14,25H,5-6,8-9H2,1-3H3,(H,27,30)
InChIKeyGLLBCSDHAZWFDA-UHFFFAOYSA-N
MW445.93 g/mol
LogP4.50
Rot. Bonds8

About 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide

4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide (PubChem CID 123332043) has the molecular formula C22H25ClFN5O2 and a molecular weight of 445.93 g/mol. Its IUPAC name is 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide.

Molecular Properties

Compound Name4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide
PubChem CID123332043
Molecular FormulaC22H25ClFN5O2
Molecular Weight445.93 g/mol
Exact Mass445.17
IUPAC Name4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide
SMILESCOc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(C)(C)F)cc(Cl)nn12
InChIInChI=1S/C22H25ClFN5O2/c1-22(2,24)8-9-25-16-11-19(23)28-29-17(12-26-20(16)29)15-7-4-13(10-18(15)31-3)21(30)27-14-5-6-14/h4,7,10-12,14,25H,5-6,8-9H2,1-3H3,(H,27,30)
InChIKeyGLLBCSDHAZWFDA-UHFFFAOYSA-N
XLogP4.50
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.93
LogP ≤ 54.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

Bay-1217389
CID 78320750
N-[3-(5-chloro-2-methoxyphenyl)-1-methyl-1H-pyrazol-4-yl]pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 49856845
N-{3-[5-chloro-2-(difluoromethoxy)phenyl]-1-methyl-1H-pyrazol-4-yl}pyrazolo[1,5-a]pyrimidine-3-carboxamide
CID 66847152
N-cyclopropyl-4-[6-(3-fluoro-4-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735277
N-cyclopropyl-4-[6-[difluoro-(4-methoxyphenyl)methyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735440
N-Cyclopropyl-4-{6-[1-(3-fluoro-4-methoxyphenyl)ethenyl]-8-[(3, 3,3-trifluoropropyl)amino]imidazo[1, 2-b]pyridazin-3-yl}-2-methylbenzamide
CID 71737355
2-Methoxy-4-[6-(Propan-2-Ylamino)imidazo[1,2-B]pyridazin-3-Yl]benzamide
CID 136664429
6-cyclopropyl-N-[(2-methoxyphenyl)methyl]-1-propan-2-ylpyrazolo[3,4-b]pyridine-4-carboxamide
CID 9507180
4-[6-cyclohexyloxy-8-(oxan-4-ylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropylbenzamide
CID 66598613
N-cyclopropyl-4-[6-(3-methoxybenzoyl)-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735120
N-cyclopropyl-4-[6-[1-(3-methoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735121
N-cyclopropyl-4-[6-[1-(4-methoxyphenyl)ethenyl]-8-(3,3,3-trifluoropropylamino)imidazo[1,2-b]pyridazin-3-yl]-2-methylbenzamide
CID 71735274

Frequently Asked Questions

What is the IUPAC name of 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide?
The IUPAC name of 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide (CID 123332043) is 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide.
What is the SMILES notation for 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide?
The canonical SMILES for 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide is COc1cc(C(=O)NC2CC2)ccc1-c1cnc2c(NCCC(C)(C)F)cc(Cl)nn12.
What is the InChIKey of 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide?
The InChIKey is GLLBCSDHAZWFDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25ClFN5O2/c1-22(2,24)8-9-25-16-11-19(23)28-29-17(12-26-20(16)29)15-7-4-13(10-18(15)31-3)21(30)27-14-5-6-14/h4,7,10-12,14,25H,5-6,8-9H2,1-3H3,(H,27,30).
What are the key properties of 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide?
4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide has a molecular weight of 445.93 g/mol, XLogP of 4.50, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-chloro-8-[(3-fluoro-3-methylbutyl)amino]imidazo[1,2-b]pyridazin-3-yl]-N-cyclopropyl-3-methoxybenzamide is sourced from PubChem (CID 123332043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).