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

C26H28F2N4O4S — CID 167433991

IUPACN-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3sc(C(C)(C)O)nc3OC(F)c3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C26H28F2N4O4S/c1-7-29-22(33)17-10-15-16(11-32(6)24(34)19(15)30-17)20-23(31-25(37-20)26(4,5)35)36-21(28)18-12(2)8-14(27)9-13(18)3/h8-11,21,30,35H,7H2,1-6H3,(H,29,33)
InChIKeyTZWCDFQOQKMXLT-UHFFFAOYSA-N
MW530.60 g/mol
LogP4.77
Rot. Bonds7

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

N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (PubChem CID 167433991) has the molecular formula C26H28F2N4O4S and a molecular weight of 530.60 g/mol. Its IUPAC name is N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.

Molecular Properties

Compound NameN-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
PubChem CID167433991
Molecular FormulaC26H28F2N4O4S
Molecular Weight530.60 g/mol
Exact Mass530.18
IUPAC NameN-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide
SMILESCCNC(=O)c1cc2c(-c3sc(C(C)(C)O)nc3OC(F)c3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1
InChIInChI=1S/C26H28F2N4O4S/c1-7-29-22(33)17-10-15-16(11-32(6)24(34)19(15)30-17)20-23(31-25(37-20)26(4,5)35)36-21(28)18-12(2)8-14(27)9-13(18)3/h8-11,21,30,35H,7H2,1-6H3,(H,29,33)
InChIKeyTZWCDFQOQKMXLT-UHFFFAOYSA-N
XLogP4.77
TPSA109.24 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.60
LogP ≤ 54.77
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The IUPAC name of N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide (CID 167433991) is N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide.
What is the SMILES notation for N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The canonical SMILES for N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is CCNC(=O)c1cc2c(-c3sc(C(C)(C)O)nc3OC(F)c3c(C)cc(F)cc3C)cn(C)c(=O)c2[nH]1.
What is the InChIKey of N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
The InChIKey is TZWCDFQOQKMXLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28F2N4O4S/c1-7-29-22(33)17-10-15-16(11-32(6)24(34)19(15)30-17)20-23(31-25(37-20)26(4,5)35)36-21(28)18-12(2)8-14(27)9-13(18)3/h8-11,21,30,35H,7H2,1-6H3,(H,29,33).
What are the key properties of N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide?
N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide has a molecular weight of 530.60 g/mol, XLogP of 4.77, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-[4-[fluoro-(4-fluoro-2,6-dimethylphenyl)methoxy]-2-(2-hydroxypropan-2-yl)-1,3-thiazol-5-yl]-6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridine-2-carboxamide is sourced from PubChem (CID 167433991), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).