2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

C23H20FN7O2 — CID 146592269

IUPAC2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12
InChIInChI=1S/C23H20FN7O2/c1-12-26-11-18(33-12)14-6-4-5-13(20(14)24)17-9-15-16(23(32)25-2)10-27-22(21(15)28-17)29-19-7-8-31(3)30-19/h4-11,28H,1-3H3,(H,25,32)(H,27,29,30)
InChIKeyLYRJEMJRIJDDNF-UHFFFAOYSA-N
MW445.46 g/mol
LogP4.17
Rot. Bonds5

About 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide

2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (PubChem CID 146592269) has the molecular formula C23H20FN7O2 and a molecular weight of 445.46 g/mol. Its IUPAC name is 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.

Molecular Properties

Compound Name2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
PubChem CID146592269
Molecular FormulaC23H20FN7O2
Molecular Weight445.46 g/mol
Exact Mass445.17
IUPAC Name2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide
SMILESCNC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12
InChIInChI=1S/C23H20FN7O2/c1-12-26-11-18(33-12)14-6-4-5-13(20(14)24)17-9-15-16(23(32)25-2)10-27-22(21(15)28-17)29-19-7-8-31(3)30-19/h4-11,28H,1-3H3,(H,25,32)(H,27,29,30)
InChIKeyLYRJEMJRIJDDNF-UHFFFAOYSA-N
XLogP4.17
TPSA113.66 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.46
LogP ≤ 54.17
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The IUPAC name of 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide (CID 146592269) is 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide.
What is the SMILES notation for 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The canonical SMILES for 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is CNC(=O)c1cnc(Nc2ccn(C)n2)c2[nH]c(-c3cccc(-c4cnc(C)o4)c3F)cc12.
What is the InChIKey of 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
The InChIKey is LYRJEMJRIJDDNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN7O2/c1-12-26-11-18(33-12)14-6-4-5-13(20(14)24)17-9-15-16(23(32)25-2)10-27-22(21(15)28-17)29-19-7-8-31(3)30-19/h4-11,28H,1-3H3,(H,25,32)(H,27,29,30).
What are the key properties of 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide?
2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide has a molecular weight of 445.46 g/mol, XLogP of 4.17, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-fluoro-3-(2-methyl-1,3-oxazol-5-yl)phenyl]-N-methyl-7-[(1-methylpyrazol-3-yl)amino]-1H-pyrrolo[2,3-c]pyridine-4-carboxamide is sourced from PubChem (CID 146592269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).