2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

C22H21F3N6O — CID 155884318

IUPAC2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-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(-c3cnn4c3CCC4)cn12
InChIInChI=1S/C22H21F3N6O/c1-12-5-6-13(21(2,32)22(23,24)25)8-14(12)18-10-27-20-19(26)29-16(11-30(18)20)15-9-28-31-7-3-4-17(15)31/h5-6,8-11,32H,3-4,7H2,1-2H3,(H2,26,29)
InChIKeyMZAFTZDOCPPASU-UHFFFAOYSA-N
MW442.45 g/mol
LogP3.87
Rot. Bonds3

About 2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol

2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (PubChem CID 155884318) has the molecular formula C22H21F3N6O and a molecular weight of 442.45 g/mol. Its IUPAC name is 2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol.

Molecular Properties

Compound Name2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol
PubChem CID155884318
Molecular FormulaC22H21F3N6O
Molecular Weight442.45 g/mol
Exact Mass442.17
IUPAC Name2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-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(-c3cnn4c3CCC4)cn12
InChIInChI=1S/C22H21F3N6O/c1-12-5-6-13(21(2,32)22(23,24)25)8-14(12)18-10-27-20-19(26)29-16(11-30(18)20)15-9-28-31-7-3-4-17(15)31/h5-6,8-11,32H,3-4,7H2,1-2H3,(H2,26,29)
InChIKeyMZAFTZDOCPPASU-UHFFFAOYSA-N
XLogP3.87
TPSA94.26 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.45
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol (CID 155884318) is 2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-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(-c3cnn4c3CCC4)cn12.
What is the InChIKey of 2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
The InChIKey is MZAFTZDOCPPASU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21F3N6O/c1-12-5-6-13(21(2,32)22(23,24)25)8-14(12)18-10-27-20-19(26)29-16(11-30(18)20)15-9-28-31-7-3-4-17(15)31/h5-6,8-11,32H,3-4,7H2,1-2H3,(H2,26,29).
What are the key properties of 2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol?
2-[3-[8-amino-6-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol has a molecular weight of 442.45 g/mol, XLogP of 3.87, 3 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-(5,6-dihydro-4H-pyrrolo[2,1-e]pyrazol-3-yl)imidazo[1,2-a]pyrazin-3-yl]-4-methylphenyl]-1,1,1-trifluoropropan-2-ol is sourced from PubChem (CID 155884318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).