N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine

C25H25F2N5O — CID 118901865

IUPACN-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESC[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4C[C@@H](F)CN4)cc3)n2n1)c1cccc(F)c1
InChIInChI=1S/C25H25F2N5O/c1-16(18-3-2-4-19(26)11-18)30-24-9-10-25-29-14-23(32(25)31-24)17-5-7-22(8-6-17)33-15-21-12-20(27)13-28-21/h2-11,14,16,20-21,28H,12-13,15H2,1H3,(H,30,31)/t16-,20-,21+/m1/s1
InChIKeyDLPGZALEJXVOND-HBGVWJBISA-N
MW449.51 g/mol
LogP4.79
Rot. Bonds7

About N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine

N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine (PubChem CID 118901865) has the molecular formula C25H25F2N5O and a molecular weight of 449.51 g/mol. Its IUPAC name is N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine.

Molecular Properties

Compound NameN-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine
PubChem CID118901865
Molecular FormulaC25H25F2N5O
Molecular Weight449.51 g/mol
Exact Mass449.20
IUPAC NameN-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine
SMILESC[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4C[C@@H](F)CN4)cc3)n2n1)c1cccc(F)c1
InChIInChI=1S/C25H25F2N5O/c1-16(18-3-2-4-19(26)11-18)30-24-9-10-25-29-14-23(32(25)31-24)17-5-7-22(8-6-17)33-15-21-12-20(27)13-28-21/h2-11,14,16,20-21,28H,12-13,15H2,1H3,(H,30,31)/t16-,20-,21+/m1/s1
InChIKeyDLPGZALEJXVOND-HBGVWJBISA-N
XLogP4.79
TPSA63.48 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.51
LogP ≤ 54.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine with MolForge

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Related Compounds

3-[4-[(2R)-2-aminopropoxy]phenyl]-N-[(1R)-1-(3-fluorophenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine;methane
CID 161077798
tert-butyl-[1-[4-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenoxy]propan-2-yl]carbamic acid
CID 175290683
2-fluoro-5-[6-[1-(3-fluorophenyl)ethylamino]imidazo[1,2-b]pyridazin-3-yl]phenol
CID 130348419
2-fluoro-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-4-[6-(2-methylsulfanylethylamino)imidazo[1,2-b]pyridazin-3-yl]benzamide
CID 56680221
4-[6-(cyclopentylamino)imidazo[1,2-b]pyridazin-3-yl]-2-fluoro-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 56666653
N-[(3-chlorophenyl)methyl]-4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]benzamide
CID 53321634
(3S)-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-3-amine;hydrochloride
CID 162327807
4-[6-(cyclopropylmethylamino)imidazo[1,2-b]pyridazin-3-yl]-N-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methyl]-N-(2-hydroxyethyl)benzamide
CID 53324797
(4S)-4-amino-1-[4-[6-[(1R)-1-(3-fluorophenyl)ethoxy]imidazo[1,2-b]pyridazin-3-yl]phenyl]pyrrolidin-2-one;hydrochloride
CID 72694305
N-[1-(3-fluoropiperidin-4-yl)ethyl]-3-[3-(trifluoromethyl)phenyl]imidazo[1,2-b]pyridazin-6-amine
CID 178035043
3-(4-fluorophenyl)-N-phenylimidazo[1,2-b]pyridazin-6-amine
CID 66890110
3-[1-(azetidin-3-yl)triazol-4-yl]-N-[(1R)-1-(5-fluoro-2-methoxyphenyl)ethyl]imidazo[1,2-b]pyridazin-6-amine
CID 171060750

Frequently Asked Questions

What is the IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine?
The IUPAC name of N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine (CID 118901865) is N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine.
What is the SMILES notation for N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine?
The canonical SMILES for N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine is C[C@@H](Nc1ccc2ncc(-c3ccc(OC[C@@H]4C[C@@H](F)CN4)cc3)n2n1)c1cccc(F)c1.
What is the InChIKey of N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine?
The InChIKey is DLPGZALEJXVOND-HBGVWJBISA-N. The full InChI is InChI=1S/C25H25F2N5O/c1-16(18-3-2-4-19(26)11-18)30-24-9-10-25-29-14-23(32(25)31-24)17-5-7-22(8-6-17)33-15-21-12-20(27)13-28-21/h2-11,14,16,20-21,28H,12-13,15H2,1H3,(H,30,31)/t16-,20-,21+/m1/s1.
What are the key properties of N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine?
N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine has a molecular weight of 449.51 g/mol, XLogP of 4.79, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R)-1-(3-fluorophenyl)ethyl]-3-[4-[[(2S,4R)-4-fluoropyrrolidin-2-yl]methoxy]phenyl]imidazo[1,2-b]pyridazin-6-amine is sourced from PubChem (CID 118901865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).