6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C16H15F2N5O2 — CID 156869426

IUPAC6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(F)F)cnc21
InChIInChI=1S/C16H15F2N5O2/c1-6-3-4-9(24)7(2)12(6)23-14(19)10(15(20)25)11-16(23)21-5-8(22-11)13(17)18/h3-5,13,24H,19H2,1-2H3,(H2,20,25)
InChIKeyRQRNUEYZOMYDAZ-UHFFFAOYSA-N
MW347.33 g/mol
LogP2.36
Rot. Bonds3

About 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869426) has the molecular formula C16H15F2N5O2 and a molecular weight of 347.33 g/mol. Its IUPAC name is 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869426
Molecular FormulaC16H15F2N5O2
Molecular Weight347.33 g/mol
Exact Mass347.12
IUPAC Name6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(F)F)cnc21
InChIInChI=1S/C16H15F2N5O2/c1-6-3-4-9(24)7(2)12(6)23-14(19)10(15(20)25)11-16(23)21-5-8(22-11)13(17)18/h3-5,13,24H,19H2,1-2H3,(H2,20,25)
InChIKeyRQRNUEYZOMYDAZ-UHFFFAOYSA-N
XLogP2.36
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.33
LogP ≤ 52.36
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869426) is 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(F)F)cnc21.
What is the InChIKey of 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is RQRNUEYZOMYDAZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15F2N5O2/c1-6-3-4-9(24)7(2)12(6)23-14(19)10(15(20)25)11-16(23)21-5-8(22-11)13(17)18/h3-5,13,24H,19H2,1-2H3,(H2,20,25).
What are the key properties of 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 347.33 g/mol, XLogP of 2.36, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(difluoromethyl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).