2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide

C20H23FN4O2 — CID 170638022

IUPAC2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCC(C)c1ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1F
InChIInChI=1S/C20H23FN4O2/c1-5-9(2)16-15(21)18-12(8-24-16)14(20(23)27)19(22)25(18)17-10(3)6-7-13(26)11(17)4/h6-9,26H,5,22H2,1-4H3,(H2,23,27)
InChIKeyRBCOSUXBBQHCCO-UHFFFAOYSA-N
MW370.43 g/mol
LogP3.68
Rot. Bonds4

About 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide

2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 170638022) has the molecular formula C20H23FN4O2 and a molecular weight of 370.43 g/mol. Its IUPAC name is 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID170638022
Molecular FormulaC20H23FN4O2
Molecular Weight370.43 g/mol
Exact Mass370.18
IUPAC Name2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCCC(C)c1ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1F
InChIInChI=1S/C20H23FN4O2/c1-5-9(2)16-15(21)18-12(8-24-16)14(20(23)27)19(22)25(18)17-10(3)6-7-13(26)11(17)4/h6-9,26H,5,22H2,1-4H3,(H2,23,27)
InChIKeyRBCOSUXBBQHCCO-UHFFFAOYSA-N
XLogP3.68
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.43
LogP ≤ 53.68
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 170638022) is 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is CCC(C)c1ncc2c(C(N)=O)c(N)n(-c3c(C)ccc(O)c3C)c2c1F.
What is the InChIKey of 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is RBCOSUXBBQHCCO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23FN4O2/c1-5-9(2)16-15(21)18-12(8-24-16)14(20(23)27)19(22)25(18)17-10(3)6-7-13(26)11(17)4/h6-9,26H,5,22H2,1-4H3,(H2,23,27).
What are the key properties of 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 370.43 g/mol, XLogP of 3.68, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 170638022), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).