1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

C22H20F3N7O2 — CID 44547004

IUPAC1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(NCCO)nn4)ccn23)c1
InChIInChI=1S/C22H20F3N7O2/c23-22(24,25)13-28-21(34)29-16-3-1-2-15(10-16)18-12-27-20-11-14(6-8-32(18)20)17-4-5-19(31-30-17)26-7-9-33/h1-6,8,10-12,33H,7,9,13H2,(H,26,31)(H2,28,29,34)
InChIKeyMIVJAOKRYGLYFY-UHFFFAOYSA-N
MW471.44 g/mol
LogP3.55
Rot. Bonds7

About 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea

1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (PubChem CID 44547004) has the molecular formula C22H20F3N7O2 and a molecular weight of 471.44 g/mol. Its IUPAC name is 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.

Molecular Properties

Compound Name1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
PubChem CID44547004
Molecular FormulaC22H20F3N7O2
Molecular Weight471.44 g/mol
Exact Mass471.16
IUPAC Name1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
SMILESO=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(NCCO)nn4)ccn23)c1
InChIInChI=1S/C22H20F3N7O2/c23-22(24,25)13-28-21(34)29-16-3-1-2-15(10-16)18-12-27-20-11-14(6-8-32(18)20)17-4-5-19(31-30-17)26-7-9-33/h1-6,8,10-12,33H,7,9,13H2,(H,26,31)(H2,28,29,34)
InChIKeyMIVJAOKRYGLYFY-UHFFFAOYSA-N
XLogP3.55
TPSA116.47 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.44
LogP ≤ 53.55
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Related Compounds

Tizaterkib
CID 129116690
Gsk-3494245
CID 126571915
(2S)-2-((3-(3-aminophenyl)imidazo(1,2-b)pyridazin-6-yl)amino)-3-methylbutan-1-ol
CID 46937115
2-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}ethanol
CID 24746215
3-{4-[7-Dimethylaminomethyl-2-(4-fluorophenyl)imidazo[1,2-a]pyridin-3-yl]pyrimidin-2-ylamino}propan-1-ol
CID 24746381
2-{[3-(2-Aminopyrimidin-4-yl)-2-(4-fluorophenyl)-imidazo[1,2-a]pyridin-7-ylmethyl]methylamino}ethanol
CID 24887880
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]ethanol
CID 44431983
2-[[2-(4-fluorophenyl)-3-[2-[[(1S)-1-phenylethyl]amino]pyrimidin-4-yl]imidazo[1,2-a]pyridin-7-yl]methyl-methylamino]propane-1,3-diol
CID 44431985
1-(2-fluoroethyl)-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606131
1-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)-3-(pyridin-3-yl)urea
CID 44606133
1-methyl-3-(4-(4-morpholino-1-(2,2,2-trifluoroethyl)-1H-pyrazolo[3,4-d]pyrimidin-6-yl)phenyl)urea
CID 44606304
1-[1-Methyl-5-[(imidazo[1,2-a]pyrazine-5-yl)ethynyl]-1H-pyrazole-3-yl]-3-[3-(trifluoromethyl)-4-[(4-methylpiperazino)methyl]phenyl]urea
CID 71605046

Frequently Asked Questions

What is the IUPAC name of 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The IUPAC name of 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea (CID 44547004) is 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea.
What is the SMILES notation for 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The canonical SMILES for 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is O=C(NCC(F)(F)F)Nc1cccc(-c2cnc3cc(-c4ccc(NCCO)nn4)ccn23)c1.
What is the InChIKey of 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
The InChIKey is MIVJAOKRYGLYFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N7O2/c23-22(24,25)13-28-21(34)29-16-3-1-2-15(10-16)18-12-27-20-11-14(6-8-32(18)20)17-4-5-19(31-30-17)26-7-9-33/h1-6,8,10-12,33H,7,9,13H2,(H,26,31)(H2,28,29,34).
What are the key properties of 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea?
1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea has a molecular weight of 471.44 g/mol, XLogP of 3.55, 7 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[7-[6-(2-hydroxyethylamino)pyridazin-3-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea is sourced from PubChem (CID 44547004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).