2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

C20H18F3N5O2S — CID 138619388

IUPAC2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ncc(-c2cn3c(-c4cc(C(O)(CO)C(F)(F)F)ccc4C)cnc3c(N)n2)s1
InChIInChI=1S/C20H18F3N5O2S/c1-10-3-4-12(19(30,9-29)20(21,22)23)5-13(10)15-6-26-18-17(24)27-14(8-28(15)18)16-7-25-11(2)31-16/h3-8,29-30H,9H2,1-2H3,(H2,24,27)
InChIKeyUSVPZTCVTWNVJK-UHFFFAOYSA-N
MW449.46 g/mol
LogP3.46
Rot. Bonds4

About 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol

2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 138619388) has the molecular formula C20H18F3N5O2S and a molecular weight of 449.46 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID138619388
Molecular FormulaC20H18F3N5O2S
Molecular Weight449.46 g/mol
Exact Mass449.11
IUPAC Name2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
SMILESCc1ncc(-c2cn3c(-c4cc(C(O)(CO)C(F)(F)F)ccc4C)cnc3c(N)n2)s1
InChIInChI=1S/C20H18F3N5O2S/c1-10-3-4-12(19(30,9-29)20(21,22)23)5-13(10)15-6-26-18-17(24)27-14(8-28(15)18)16-7-25-11(2)31-16/h3-8,29-30H,9H2,1-2H3,(H2,24,27)
InChIKeyUSVPZTCVTWNVJK-UHFFFAOYSA-N
XLogP3.46
TPSA109.56 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 53.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-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-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093438
(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093439
(4-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)methanol
CID 25093440
2-(3-{8-[(2-Aminoethyl)amino]-12-methyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-4-yl}phenyl)ethan-1-ol
CID 25093441
US9670204, 150 (2-((2-ethyl-6-(1-(methylsulfonyl)piperidin-4-yl)imidazo[1,2-a]pyridin-3-yl)(methyl)amino)-4-(4-(trifluoromethyl)phenyl)thiazol-5-yl)methanol
CID 117628574
US10738057, Example 20
CID 138561598
US10738057, Example 7
CID 138561688
US10738057, Example 32
CID 138561694
US10738057, Example 10
CID 138562068
US10738057, Example 21
CID 138562132
US10738057, Example 23
CID 138562184
US10738057, Example 136
CID 138562199

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 138619388) is 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-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-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is Cc1ncc(-c2cn3c(-c4cc(C(O)(CO)C(F)(F)F)ccc4C)cnc3c(N)n2)s1.
What is the InChIKey of 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is USVPZTCVTWNVJK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18F3N5O2S/c1-10-3-4-12(19(30,9-29)20(21,22)23)5-13(10)15-6-26-18-17(24)27-14(8-28(15)18)16-7-25-11(2)31-16/h3-8,29-30H,9H2,1-2H3,(H2,24,27).
What are the key properties of 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 449.46 g/mol, XLogP of 3.46, 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-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 138619388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).