2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

C20H19F3N6O2 — CID 138562721

IUPAC2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnn(C)c3)cn12
InChIInChI=1S/C20H19F3N6O2/c1-11-3-4-13(19(31,10-30)20(21,22)23)5-14(11)16-7-25-18-17(24)27-15(9-29(16)18)12-6-26-28(2)8-12/h3-9,30-31H,10H2,1-2H3,(H2,24,27)
InChIKeyWWGPBAPYJSIUAN-UHFFFAOYSA-N
MW432.41 g/mol
LogP2.43
Rot. Bonds4

About 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 138562721) has the molecular formula C20H19F3N6O2 and a molecular weight of 432.41 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID138562721
Molecular FormulaC20H19F3N6O2
Molecular Weight432.41 g/mol
Exact Mass432.15
IUPAC Name2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnn(C)c3)cn12
InChIInChI=1S/C20H19F3N6O2/c1-11-3-4-13(19(31,10-30)20(21,22)23)5-14(11)16-7-25-18-17(24)27-15(9-29(16)18)12-6-26-28(2)8-12/h3-9,30-31H,10H2,1-2H3,(H2,24,27)
InChIKeyWWGPBAPYJSIUAN-UHFFFAOYSA-N
XLogP2.43
TPSA114.49 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.41
LogP ≤ 52.43
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol with MolForge

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Related Compounds

2-{[2-(4-{5-[(1-ethyl-1H-pyrazol-3-yl)amino]-1H-[1,2,3]triazolo[4,5-d]pyrimidin-1-yl}phenyl)propan-2-yl]oxy}ethan-1-ol
CID 90655897
N-[6-(2-hydroxypropan-2-yl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 91933887
N-[6-(hydroxymethyl)-2-phenylimidazo[1,2-a]pyridin-3-yl]-3-(1-methylpyrazol-3-yl)-4-(trifluoromethyl)benzamide
CID 118408591
(3-(8-(6-(2-Methylpyrrolidin-1-yl)pyridin-2-ylamino)imidazo[1,2-b]pyridazin-6-yl)phenyl)methanol
CID 71451823
US10544143, Example 307
CID 138686828
[3-[6-[[(3S,4S)-4-fluoropyrrolidin-3-yl]amino]-2-pyridinyl]-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyridin-7-yl]methanol
CID 169074463
(4-(3-(1H-pyrazol-4-yl)imidazo[1,2-a]pyrazin-6-yl)phenyl)methanol
CID 49797814
[4-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155527495
[3-[4-Amino-5-(2-cyclohexylpyrazol-3-yl)pyrrolo[2,1-f][1,2,4]triazin-7-yl]phenyl]methanol
CID 155534735
[4-[3-[3-(Hydroxymethyl) phenyl]imidazo [1,2-b]pyridazin-6-yl]phenyl] methanol
CID 126672786
1-[4-[8-amino-3-(1H-pyrazol-5-yl)imidazo[1,5-a]pyrazin-1-yl]phenyl]-1-phenylethanol
CID 57960822
1-[4-Methyl-3-(7-methyl-2,4,5,8,13-pentazatricyclo[7.4.0.02,6]trideca-1(9),3,5,7,10,12-hexaen-3-yl)phenyl]cyclobutan-1-ol
CID 89968351

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The IUPAC name of 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 138562721) is 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol.
What is the SMILES notation for 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The canonical SMILES for 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is Cc1ccc(C(O)(CO)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnn(C)c3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is WWGPBAPYJSIUAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N6O2/c1-11-3-4-13(19(31,10-30)20(21,22)23)5-14(11)16-7-25-18-17(24)27-15(9-29(16)18)12-6-26-28(2)8-12/h3-9,30-31H,10H2,1-2H3,(H2,24,27).
What are the key properties of 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 432.41 g/mol, XLogP of 2.43, 4 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(1-methylpyrazol-4-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 138562721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).