4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

C26H28FN3O4S — CID 167433983

IUPAC4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3OCc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C26H28FN3O4S/c1-13-7-15(27)8-14(2)18(13)12-34-20-10-21(26(3,4)33)35-23(20)17-11-30(6)25(32)22-16(17)9-19(29-22)24(31)28-5/h7-11,29,33H,12H2,1-6H3,(H,28,31)
InChIKeyYAFSDPPQJKJIAI-UHFFFAOYSA-N
MW497.59 g/mol
LogP4.52
Rot. Bonds6

About 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide

4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433983) has the molecular formula C26H28FN3O4S and a molecular weight of 497.59 g/mol. Its IUPAC name is 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound Name4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167433983
Molecular FormulaC26H28FN3O4S
Molecular Weight497.59 g/mol
Exact Mass497.18
IUPAC Name4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3OCc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C26H28FN3O4S/c1-13-7-15(27)8-14(2)18(13)12-34-20-10-21(26(3,4)33)35-23(20)17-11-30(6)25(32)22-16(17)9-19(29-22)24(31)28-5/h7-11,29,33H,12H2,1-6H3,(H,28,31)
InChIKeyYAFSDPPQJKJIAI-UHFFFAOYSA-N
XLogP4.52
TPSA96.35 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.59
LogP ≤ 54.52
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433983) is 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CNC(=O)c1cc2c(-c3sc(C(C)(C)O)cc3OCc3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is YAFSDPPQJKJIAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28FN3O4S/c1-13-7-15(27)8-14(2)18(13)12-34-20-10-21(26(3,4)33)35-23(20)17-11-30(6)25(32)22-16(17)9-19(29-22)24(31)28-5/h7-11,29,33H,12H2,1-6H3,(H,28,31).
What are the key properties of 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 497.59 g/mol, XLogP of 4.52, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-[(4-fluoro-2,6-dimethylphenyl)methoxy]-5-(2-hydroxypropan-2-yl)thiophen-2-yl]-N,6-dimethyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).