3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol

C18H17F3N4O — CID 172775086

IUPAC3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1-n1c(N)cc2nc(C3(C(F)(F)F)CC3)cnc21
InChIInChI=1S/C18H17F3N4O/c1-9-3-4-12(26)10(2)15(9)25-14(22)7-11-16(25)23-8-13(24-11)17(5-6-17)18(19,20)21/h3-4,7-8,26H,5-6,22H2,1-2H3
InChIKeyNMCYQGGQYZDKBN-UHFFFAOYSA-N
MW362.36 g/mol
LogP3.92
Rot. Bonds2

About 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol

3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol (PubChem CID 172775086) has the molecular formula C18H17F3N4O and a molecular weight of 362.36 g/mol. Its IUPAC name is 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol.

Molecular Properties

Compound Name3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol
PubChem CID172775086
Molecular FormulaC18H17F3N4O
Molecular Weight362.36 g/mol
Exact Mass362.14
IUPAC Name3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol
SMILESCc1ccc(O)c(C)c1-n1c(N)cc2nc(C3(C(F)(F)F)CC3)cnc21
InChIInChI=1S/C18H17F3N4O/c1-9-3-4-12(26)10(2)15(9)25-14(22)7-11-16(25)23-8-13(24-11)17(5-6-17)18(19,20)21/h3-4,7-8,26H,5-6,22H2,1-2H3
InChIKeyNMCYQGGQYZDKBN-UHFFFAOYSA-N
XLogP3.92
TPSA76.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.36
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol 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 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol?
The IUPAC name of 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol (CID 172775086) is 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol.
What is the SMILES notation for 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol?
The canonical SMILES for 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol is Cc1ccc(O)c(C)c1-n1c(N)cc2nc(C3(C(F)(F)F)CC3)cnc21.
What is the InChIKey of 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol?
The InChIKey is NMCYQGGQYZDKBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17F3N4O/c1-9-3-4-12(26)10(2)15(9)25-14(22)7-11-16(25)23-8-13(24-11)17(5-6-17)18(19,20)21/h3-4,7-8,26H,5-6,22H2,1-2H3.
What are the key properties of 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol?
3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol has a molecular weight of 362.36 g/mol, XLogP of 3.92, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[6-amino-2-[1-(trifluoromethyl)cyclopropyl]pyrrolo[2,3-b]pyrazin-5-yl]-2,4-dimethylphenol is sourced from PubChem (CID 172775086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).