2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide

C16H14F2N4O2 — CID 170638135

IUPAC2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1c(O)cc(F)c(C)c1-n1c(N)c(C(N)=O)c2cncc(F)c21
InChIInChI=1S/C16H14F2N4O2/c1-6-9(17)3-11(23)7(2)13(6)22-14-8(4-21-5-10(14)18)12(15(22)19)16(20)24/h3-5,23H,19H2,1-2H3,(H2,20,24)
InChIKeyQYWRWOLZCDAZIJ-UHFFFAOYSA-N
MW332.31 g/mol
LogP2.31
Rot. Bonds2

About 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide

2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (PubChem CID 170638135) has the molecular formula C16H14F2N4O2 and a molecular weight of 332.31 g/mol. Its IUPAC name is 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.

Molecular Properties

Compound Name2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
PubChem CID170638135
Molecular FormulaC16H14F2N4O2
Molecular Weight332.31 g/mol
Exact Mass332.11
IUPAC Name2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
SMILESCc1c(O)cc(F)c(C)c1-n1c(N)c(C(N)=O)c2cncc(F)c21
InChIInChI=1S/C16H14F2N4O2/c1-6-9(17)3-11(23)7(2)13(6)22-14-8(4-21-5-10(14)18)12(15(22)19)16(20)24/h3-5,23H,19H2,1-2H3,(H2,20,24)
InChIKeyQYWRWOLZCDAZIJ-UHFFFAOYSA-N
XLogP2.31
TPSA107.16 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.31
LogP ≤ 52.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

2-amino-6-butan-2-yl-7-fluoro-1-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638022
2-amino-7-bromo-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 175985311
2-amino-7-cyano-6-cyclopropyl-1-(3-fluoro-5-methoxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide
CID 170638001
11-amino-12-(6-chloro-3-hydroxy-2-methylphenyl)-7-methyl-3,5,6,12-tetrazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,10-pentaene-10-carboxamide
CID 172622342
2-amino-6-ethyl-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163631
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-6-methyl-7-oxo-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163596
potassium;2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-methanidyl-6-(methylamino)pyrrolo[3,2-c]pyridine-3-carboxamide;carbanide
CID 178110771
2-amino-1-(3-hydroxy-2,6-dimethylphenyl)-7-oxo-6-(trideuteriomethyl)-5-(trifluoromethyl)pyrrolo[2,3-c]pyridine-3-carboxamide
CID 177163622
5-amino-3-(5-fluoro-3-pyridinyl)-6-(3-hydroxy-2,6-dimethylphenyl)-2-methylpyrrolo[2,3-c]pyrazole-4-carboxamide
CID 177163686
6-amino-2-ethyl-7-(3-hydroxy-2,6-dimethylphenyl)pyrrolo[2,3-d]pyrimidine-5-carboxamide
CID 171633879
2-amino-1-(6-fluoro-5-methyl-1H-indazol-4-yl)-5-(2-hydroxyethyl)-6-methylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 172557936
2-amino-1-(5-hydroxy-2,4-dimethyl-3-bicyclo[4.2.0]octa-1,3,5-trienyl)-5,6-dimethylpyrrolo[2,3-b]pyridine-3-carboxamide
CID 171619275

Frequently Asked Questions

What is the IUPAC name of 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The IUPAC name of 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide (CID 170638135) is 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide.
What is the SMILES notation for 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The canonical SMILES for 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is Cc1c(O)cc(F)c(C)c1-n1c(N)c(C(N)=O)c2cncc(F)c21.
What is the InChIKey of 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
The InChIKey is QYWRWOLZCDAZIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14F2N4O2/c1-6-9(17)3-11(23)7(2)13(6)22-14-8(4-21-5-10(14)18)12(15(22)19)16(20)24/h3-5,23H,19H2,1-2H3,(H2,20,24).
What are the key properties of 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide?
2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide has a molecular weight of 332.31 g/mol, XLogP of 2.31, 2 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-7-fluoro-1-(3-fluoro-5-hydroxy-2,6-dimethylphenyl)pyrrolo[3,2-c]pyridine-3-carboxamide is sourced from PubChem (CID 170638135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).