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

C19H16F3N5O3 — CID 138561632

IUPAC2-[3-[8-amino-6-(1,3-oxazol-5-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(-c3cnco3)cn12
InChIInChI=1S/C19H16F3N5O3/c1-10-2-3-11(18(29,8-28)19(20,21)22)4-12(10)14-5-25-17-16(23)26-13(7-27(14)17)15-6-24-9-30-15/h2-7,9,28-29H,8H2,1H3,(H2,23,26)
InChIKeyBSTVRXOSASBKDQ-UHFFFAOYSA-N
MW419.36 g/mol
LogP2.68
Rot. Bonds4

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

2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (PubChem CID 138561632) has the molecular formula C19H16F3N5O3 and a molecular weight of 419.36 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(1,3-oxazol-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-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol
PubChem CID138561632
Molecular FormulaC19H16F3N5O3
Molecular Weight419.36 g/mol
Exact Mass419.12
IUPAC Name2-[3-[8-amino-6-(1,3-oxazol-5-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(-c3cnco3)cn12
InChIInChI=1S/C19H16F3N5O3/c1-10-2-3-11(18(29,8-28)19(20,21)22)4-12(10)14-5-25-17-16(23)26-13(7-27(14)17)15-6-24-9-30-15/h2-7,9,28-29H,8H2,1H3,(H2,23,26)
InChIKeyBSTVRXOSASBKDQ-UHFFFAOYSA-N
XLogP2.68
TPSA122.70 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.36
LogP ≤ 52.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

US11186580, Example 9
CID 138561869
US10738057, Example 28
CID 138562185
US10738057, Example 9
CID 138562233
US10738057, Example 84
CID 138562267
US10738057, Example 8
CID 138562279
US10738057, Example 221
CID 138562350
US10738057, Example 52
CID 138576560
US10738057, Example 279
CID 138619342
US10738057, Example 48
CID 138619378
US10738057, Example 68
CID 138619383
US10738057, Example 22
CID 138619537
US10738057, Example 62
CID 155884310

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(1,3-oxazol-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-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol (CID 138561632) is 2-[3-[8-amino-6-(1,3-oxazol-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-(1,3-oxazol-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-(1,3-oxazol-5-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(-c3cnco3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
The InChIKey is BSTVRXOSASBKDQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F3N5O3/c1-10-2-3-11(18(29,8-28)19(20,21)22)4-12(10)14-5-25-17-16(23)26-13(7-27(14)17)15-6-24-9-30-15/h2-7,9,28-29H,8H2,1H3,(H2,23,26).
What are the key properties of 2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol?
2-[3-[8-amino-6-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol has a molecular weight of 419.36 g/mol, XLogP of 2.68, 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-(1,3-oxazol-5-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-3,3,3-trifluoropropane-1,2-diol is sourced from PubChem (CID 138561632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).