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

C20H19F2N5OS — CID 138619380

IUPAC2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ncc(-c2cn3c(-c4cc(C(C)(O)C(F)F)ccc4C)cnc3c(N)n2)s1
InChIInChI=1S/C20H19F2N5OS/c1-10-4-5-12(20(3,28)19(21)22)6-13(10)15-7-25-18-17(23)26-14(9-27(15)18)16-8-24-11(2)29-16/h4-9,19,28H,1-3H3,(H2,23,26)
InChIKeyLBEQXIUDHUFHAL-UHFFFAOYSA-N
MW415.47 g/mol
LogP4.19
Rot. Bonds4

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

2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 138619380) has the molecular formula C20H19F2N5OS and a molecular weight of 415.47 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]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
PubChem CID138619380
Molecular FormulaC20H19F2N5OS
Molecular Weight415.47 g/mol
Exact Mass415.13
IUPAC Name2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ncc(-c2cn3c(-c4cc(C(C)(O)C(F)F)ccc4C)cnc3c(N)n2)s1
InChIInChI=1S/C20H19F2N5OS/c1-10-4-5-12(20(3,28)19(21)22)6-13(10)15-7-25-18-17(23)26-14(9-27(15)18)16-8-24-11(2)29-16/h4-9,19,28H,1-3H3,(H2,23,26)
InChIKeyLBEQXIUDHUFHAL-UHFFFAOYSA-N
XLogP4.19
TPSA89.33 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.47
LogP ≤ 54.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-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
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
US10738057, Example 4
CID 138561369
US10738057, Example 20
CID 138561598
US10738057, Example 15
CID 138561635
US10738057, Example 7
CID 138561688
US10738057, Example 32
CID 138561694
US10738057, Example 64
CID 138561789
US10738057, Example 19
CID 138561796
US10738057, Example 21
CID 138562132

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]-1,1-difluoropropan-2-ol?
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]-1,1-difluoropropan-2-ol (CID 138619380) is 2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.
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]-1,1-difluoropropan-2-ol?
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]-1,1-difluoropropan-2-ol is Cc1ncc(-c2cn3c(-c4cc(C(C)(O)C(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]-1,1-difluoropropan-2-ol?
The InChIKey is LBEQXIUDHUFHAL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F2N5OS/c1-10-4-5-12(20(3,28)19(21)22)6-13(10)15-7-25-18-17(23)26-14(9-27(15)18)16-8-24-11(2)29-16/h4-9,19,28H,1-3H3,(H2,23,26).
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]-1,1-difluoropropan-2-ol?
2-[3-[8-amino-6-(2-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 415.47 g/mol, XLogP of 4.19, 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-methyl-1,3-thiazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 138619380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).