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

C18H20FN5O2 — CID 156869520

IUPAC6-amino-2-(2-fluoropropan-2-yl)-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(C)(C)F)cnc21
InChIInChI=1S/C18H20FN5O2/c1-8-5-6-10(25)9(2)14(8)24-15(20)12(16(21)26)13-17(24)22-7-11(23-13)18(3,4)19/h5-7,25H,20H2,1-4H3,(H2,21,26)
InChIKeyTUIILCLYWZKLGI-UHFFFAOYSA-N
MW357.39 g/mol
LogP2.63
Rot. Bonds3

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

6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869520) has the molecular formula C18H20FN5O2 and a molecular weight of 357.39 g/mol. Its IUPAC name is 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869520
Molecular FormulaC18H20FN5O2
Molecular Weight357.39 g/mol
Exact Mass357.16
IUPAC Name6-amino-2-(2-fluoropropan-2-yl)-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(C)(C)F)cnc21
InChIInChI=1S/C18H20FN5O2/c1-8-5-6-10(25)9(2)14(8)24-15(20)12(16(21)26)13-17(24)22-7-11(23-13)18(3,4)19/h5-7,25H,20H2,1-4H3,(H2,21,26)
InChIKeyTUIILCLYWZKLGI-UHFFFAOYSA-N
XLogP2.63
TPSA120.05 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.39
LogP ≤ 52.63
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)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869520) is 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[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)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-2-(2-fluoropropan-2-yl)-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(C)(C)F)cnc21.
What is the InChIKey of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is TUIILCLYWZKLGI-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20FN5O2/c1-8-5-6-10(25)9(2)14(8)24-15(20)12(16(21)26)13-17(24)22-7-11(23-13)18(3,4)19/h5-7,25H,20H2,1-4H3,(H2,21,26).
What are the key properties of 6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-2-(2-fluoropropan-2-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 357.39 g/mol, XLogP of 2.63, 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)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).