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

C18H17F2N7O — CID 138576375

IUPAC2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-n3cncn3)cn12
InChIInChI=1S/C18H17F2N7O/c1-10-3-4-11(18(2,28)17(19)20)5-12(10)13-6-23-16-15(21)25-14(7-26(13)16)27-9-22-8-24-27/h3-9,17,28H,1-2H3,(H2,21,25)
InChIKeyOGQRFUWIBQYXPY-UHFFFAOYSA-N
MW385.38 g/mol
LogP2.34
Rot. Bonds4

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

2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (PubChem CID 138576375) has the molecular formula C18H17F2N7O and a molecular weight of 385.38 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
PubChem CID138576375
Molecular FormulaC18H17F2N7O
Molecular Weight385.38 g/mol
Exact Mass385.15
IUPAC Name2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol
SMILESCc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-n3cncn3)cn12
InChIInChI=1S/C18H17F2N7O/c1-10-3-4-11(18(2,28)17(19)20)5-12(10)13-6-23-16-15(21)25-14(7-26(13)16)27-9-22-8-24-27/h3-9,17,28H,1-2H3,(H2,21,25)
InChIKeyOGQRFUWIBQYXPY-UHFFFAOYSA-N
XLogP2.34
TPSA107.15 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.38
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The IUPAC name of 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol (CID 138576375) is 2-[3-[8-amino-6-(1,2,4-triazol-1-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-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The canonical SMILES for 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is Cc1ccc(C(C)(O)C(F)F)cc1-c1cnc2c(N)nc(-n3cncn3)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
The InChIKey is OGQRFUWIBQYXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F2N7O/c1-10-3-4-11(18(2,28)17(19)20)5-12(10)13-6-23-16-15(21)25-14(7-26(13)16)27-9-22-8-24-27/h3-9,17,28H,1-2H3,(H2,21,25).
What are the key properties of 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol?
2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol has a molecular weight of 385.38 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[8-amino-6-(1,2,4-triazol-1-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1-difluoropropan-2-ol is sourced from PubChem (CID 138576375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).