6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

C20H22F2N6O2 — CID 156869597

IUPAC6-amino-2-(4,4-difluoropiperidin-1-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(N3CCC(F)(F)CC3)cnc21
InChIInChI=1S/C20H22F2N6O2/c1-10-3-4-12(29)11(2)16(10)28-17(23)14(18(24)30)15-19(28)25-9-13(26-15)27-7-5-20(21,22)6-8-27/h3-4,9,29H,5-8,23H2,1-2H3,(H2,24,30)
InChIKeyPAFGYSXXLSGGDN-UHFFFAOYSA-N
MW416.43 g/mol
LogP2.66
Rot. Bonds3

About 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide

6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 156869597) has the molecular formula C20H22F2N6O2 and a molecular weight of 416.43 g/mol. Its IUPAC name is 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound Name6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID156869597
Molecular FormulaC20H22F2N6O2
Molecular Weight416.43 g/mol
Exact Mass416.18
IUPAC Name6-amino-2-(4,4-difluoropiperidin-1-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(N3CCC(F)(F)CC3)cnc21
InChIInChI=1S/C20H22F2N6O2/c1-10-3-4-12(29)11(2)16(10)28-17(23)14(18(24)30)15-19(28)25-9-13(26-15)27-7-5-20(21,22)6-8-27/h3-4,9,29H,5-8,23H2,1-2H3,(H2,24,30)
InChIKeyPAFGYSXXLSGGDN-UHFFFAOYSA-N
XLogP2.66
TPSA123.29 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.43
LogP ≤ 52.66
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 156869597) is 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for 6-amino-2-(4,4-difluoropiperidin-1-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(N3CCC(F)(F)CC3)cnc21.
What is the InChIKey of 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is PAFGYSXXLSGGDN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22F2N6O2/c1-10-3-4-12(29)11(2)16(10)28-17(23)14(18(24)30)15-19(28)25-9-13(26-15)27-7-5-20(21,22)6-8-27/h3-4,9,29H,5-8,23H2,1-2H3,(H2,24,30).
What are the key properties of 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide?
6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 416.43 g/mol, XLogP of 2.66, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-2-(4,4-difluoropiperidin-1-yl)-5-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 156869597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).