6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide

C21H17F3N6O2 — CID 156869385

IUPAC6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3cc(C(F)(F)F)ccn3)cnc21
InChIInChI=1S/C21H17F3N6O2/c1-9-3-4-14(31)10(2)17(9)30-18(25)15(19(26)32)16-20(30)28-8-13(29-16)12-7-11(5-6-27-12)21(22,23)24/h3-8,31H,25H2,1-2H3,(H2,26,32)
InChIKeyWCONKYLHLYACIS-UHFFFAOYSA-N
MW442.40 g/mol
LogP3.50
Rot. Bonds3

About 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869385) has the molecular formula C21H17F3N6O2 and a molecular weight of 442.40 g/mol. Its IUPAC name is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869385
Molecular FormulaC21H17F3N6O2
Molecular Weight442.40 g/mol
Exact Mass442.14
IUPAC Name6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3cc(C(F)(F)F)ccn3)cnc21
InChIInChI=1S/C21H17F3N6O2/c1-9-3-4-14(31)10(2)17(9)30-18(25)15(19(26)32)16-20(30)28-8-13(29-16)12-7-11(5-6-27-12)21(22,23)24/h3-8,31H,25H2,1-2H3,(H2,26,32)
InChIKeyWCONKYLHLYACIS-UHFFFAOYSA-N
XLogP3.50
TPSA132.94 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500442.40
LogP ≤ 53.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869385) is 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(-c3cc(C(F)(F)F)ccn3)cnc21.
What is the InChIKey of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is WCONKYLHLYACIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17F3N6O2/c1-9-3-4-14(31)10(2)17(9)30-18(25)15(19(26)32)16-20(30)28-8-13(29-16)12-7-11(5-6-27-12)21(22,23)24/h3-8,31H,25H2,1-2H3,(H2,26,32).
What are the key properties of 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 442.40 g/mol, XLogP of 3.50, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-5-(3-hydroxy-2,6-dimethylphenyl)-2-[4-(trifluoromethyl)-2-pyridinyl]pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869385), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).