2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C22H20F3N5OS — CID 138561598

IUPAC2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnc(C4CC4)s3)cn12
InChIInChI=1S/C22H20F3N5OS/c1-11-3-6-13(21(2,31)22(23,24)25)7-14(11)16-8-27-19-18(26)29-15(10-30(16)19)17-9-28-20(32-17)12-4-5-12/h3,6-10,12,31H,4-5H2,1-2H3,(H2,26,29)
InChIKeyHOIBQUXHBRWEKG-UHFFFAOYSA-N
MW459.50 g/mol
LogP5.06
Rot. Bonds4

About 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 138561598) has the molecular formula C22H20F3N5OS and a molecular weight of 459.50 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID138561598
Molecular FormulaC22H20F3N5OS
Molecular Weight459.50 g/mol
Exact Mass459.13
IUPAC Name2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnc(C4CC4)s3)cn12
InChIInChI=1S/C22H20F3N5OS/c1-11-3-6-13(21(2,31)22(23,24)25)7-14(11)16-8-27-19-18(26)29-15(10-30(16)19)17-9-28-20(32-17)12-4-5-12/h3,6-10,12,31H,4-5H2,1-2H3,(H2,26,29)
InChIKeyHOIBQUXHBRWEKG-UHFFFAOYSA-N
XLogP5.06
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500459.50
LogP ≤ 55.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol 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
US10738057, Example 4
CID 138561369
US10738057, Example 15
CID 138561635
US10738057, Example 7
CID 138561688
US10738057, Example 32
CID 138561694
US10738057, Example 19
CID 138561796
US10738057, Example 21
CID 138562132
US10738057, Example 264
CID 138562149
US10738057, Example 162
CID 138562246
US10738057, Example 24
CID 138562261

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 138561598) is 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.
What is the SMILES notation for 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)(F)F)cc1-c1cnc2c(N)nc(-c3cnc(C4CC4)s3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is HOIBQUXHBRWEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20F3N5OS/c1-11-3-6-13(21(2,31)22(23,24)25)7-14(11)16-8-27-19-18(26)29-15(10-30(16)19)17-9-28-20(32-17)12-4-5-12/h3,6-10,12,31H,4-5H2,1-2H3,(H2,26,29).
What are the key properties of 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 459.50 g/mol, XLogP of 5.06, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(2-cyclopropyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 138561598), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).