6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide

C19H22FN5O2 — CID 168755278

IUPAC6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)(C)F)c(C)nc21
InChIInChI=1S/C19H22FN5O2/c1-8-6-7-11(26)9(2)14(8)25-16(21)12(17(22)27)13-18(25)23-10(3)15(24-13)19(4,5)20/h6-7,26H,21H2,1-5H3,(H2,22,27)
InChIKeyXKCRQRLYBRWQGT-UHFFFAOYSA-N
MW371.42 g/mol
LogP2.94
Rot. Bonds3

About 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 168755278) has the molecular formula C19H22FN5O2 and a molecular weight of 371.42 g/mol. Its IUPAC name is 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID168755278
Molecular FormulaC19H22FN5O2
Molecular Weight371.42 g/mol
Exact Mass371.18
IUPAC Name6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)(C)F)c(C)nc21
InChIInChI=1S/C19H22FN5O2/c1-8-6-7-11(26)9(2)14(8)25-16(21)12(17(22)27)13-18(25)23-10(3)15(24-13)19(4,5)20/h6-7,26H,21H2,1-5H3,(H2,22,27)
InChIKeyXKCRQRLYBRWQGT-UHFFFAOYSA-N
XLogP2.94
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.42
LogP ≤ 52.94
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide (CID 168755278) is 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide is Cc1ccc(O)c(C)c1-n1c(N)c(C(N)=O)c2nc(C(C)(C)F)c(C)nc21.
What is the InChIKey of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is XKCRQRLYBRWQGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22FN5O2/c1-8-6-7-11(26)9(2)14(8)25-16(21)12(17(22)27)13-18(25)23-10(3)15(24-13)19(4,5)20/h6-7,26H,21H2,1-5H3,(H2,22,27).
What are the key properties of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 371.42 g/mol, XLogP of 2.94, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)-3-methylpyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 168755278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).