2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol

C19H20F5N5O2 — CID 138654800

IUPAC2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol
SMILESCNCCC(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(O)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C19H20F5N5O2/c1-10-3-4-11(17(30,5-6-26-2)19(22,23)24)7-12(10)13-8-27-16-15(25)28-14(9-29(13)16)18(20,21)31/h3-4,7-9,26,30-31H,5-6H2,1-2H3,(H2,25,28)
InChIKeyQRKZWIOOUINGML-UHFFFAOYSA-N
MW445.39 g/mol
LogP2.69
Rot. Bonds6

About 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol

2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol (PubChem CID 138654800) has the molecular formula C19H20F5N5O2 and a molecular weight of 445.39 g/mol. Its IUPAC name is 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol
PubChem CID138654800
Molecular FormulaC19H20F5N5O2
Molecular Weight445.39 g/mol
Exact Mass445.15
IUPAC Name2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol
SMILESCNCCC(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(O)(F)F)cn23)c1)C(F)(F)F
InChIInChI=1S/C19H20F5N5O2/c1-10-3-4-11(17(30,5-6-26-2)19(22,23)24)7-12(10)13-8-27-16-15(25)28-14(9-29(13)16)18(20,21)31/h3-4,7-9,26,30-31H,5-6H2,1-2H3,(H2,25,28)
InChIKeyQRKZWIOOUINGML-UHFFFAOYSA-N
XLogP2.69
TPSA108.70 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.39
LogP ≤ 52.69
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol with MolForge

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Related Compounds

2-[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]imidazo[1,2-a]pyridin-6-yl]propan-2-ol
CID 163718475
2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961619
1,1,1,3,3,3-hexafluoro-2-(4-(5-(hydroxymethyl)-2-(pyridin-4-yl)-1H-imidazol-1-yl)phenyl)propan-2-ol
CID 44407263
rac-1-(1H-Imidazol-4-yl)-2-methyl-1-[4-(2-pyridinyl)phenyl]-1-propanol
CID 54582428
2-(5-(6-Fluoro-3-methylimidazo[1,2-a]pyridin-2-yl)pyridin-3-yl)propan-2-ol
CID 86730381
2-[5-(3-Cyclopropyl-6-fluoroimidazo[1,2-a]pyridin-2-yl)-3-pyridinyl]propan-2-ol
CID 89471892
1-[3-[7-[5-(Hydroxymethyl)pyridin-2-yl]imidazo[1,2-a]pyridin-3-yl]phenyl]-3-(2,2,2-trifluoroethyl)urea
CID 44547307
Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6-(((3S,4S)-4-fluoropiperidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 166961603
2-(3-(3,5-difluoro-6-(((3S,4S)-4-fluoro-pyrrolidin-3-yl)-amino)pyridin-2-yl)-imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961613
(S)-2-(3-(6-((4,4-difluoropiperidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]-pyridin-6-yl)propan-2-ol
CID 166961620
Fast-eluting diastereomer: 1,1,1-trifluoro-2-(3-(6-(((3S,4S)-4-fluoropyrrolidin-3-yl)amino)pyridin-2-yl)imidazo[1,2-a]pyridin-6-yl)propan-2-ol
CID 166961626
Fast-eluting diastereomer: 2-(3-(6-((R)-5-azaspiro[2.4]heptan-7-ylamino)pyridin-2-yl)imidazo[1,2-a]pyridin-6-yl)-1,1,1-trifluoropropan-2-ol
CID 166961684

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol (CID 138654800) is 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol is CNCCC(O)(c1ccc(C)c(-c2cnc3c(N)nc(C(O)(F)F)cn23)c1)C(F)(F)F.
What is the InChIKey of 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol?
The InChIKey is QRKZWIOOUINGML-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20F5N5O2/c1-10-3-4-11(17(30,5-6-26-2)19(22,23)24)7-12(10)13-8-27-16-15(25)28-14(9-29(13)16)18(20,21)31/h3-4,7-9,26,30-31H,5-6H2,1-2H3,(H2,25,28).
What are the key properties of 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol?
2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol has a molecular weight of 445.39 g/mol, XLogP of 2.69, 6 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-[difluoro(hydroxy)methyl]imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoro-4-(methylamino)butan-2-ol is sourced from PubChem (CID 138654800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).