3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide

C25H23N3O3S — CID 175338243

IUPAC3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide
SMILESCn1cc(-c2cc(C(=O)NC3CCSC3)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C25H23N3O3S/c1-28-14-21(19-9-11-26-23(19)25(28)30)20-13-16(24(29)27-17-10-12-32-15-17)7-8-22(20)31-18-5-3-2-4-6-18/h2-9,11,13-14,17,26H,10,12,15H2,1H3,(H,27,29)
InChIKeyASVUMPMKBWBSTK-UHFFFAOYSA-N
MW445.54 g/mol
LogP4.56
Rot. Bonds5

About 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide

3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide (PubChem CID 175338243) has the molecular formula C25H23N3O3S and a molecular weight of 445.54 g/mol. Its IUPAC name is 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide.

Molecular Properties

Compound Name3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide
PubChem CID175338243
Molecular FormulaC25H23N3O3S
Molecular Weight445.54 g/mol
Exact Mass445.15
IUPAC Name3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide
SMILESCn1cc(-c2cc(C(=O)NC3CCSC3)ccc2Oc2ccccc2)c2cc[nH]c2c1=O
InChIInChI=1S/C25H23N3O3S/c1-28-14-21(19-9-11-26-23(19)25(28)30)20-13-16(24(29)27-17-10-12-32-15-17)7-8-22(20)31-18-5-3-2-4-6-18/h2-9,11,13-14,17,26H,10,12,15H2,1H3,(H,27,29)
InChIKeyASVUMPMKBWBSTK-UHFFFAOYSA-N
XLogP4.56
TPSA76.12 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.54
LogP ≤ 54.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-cyclohexyl-3-[2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-methylsulfonylphenoxy]benzamide
CID 86582450
2-hydroxy-N-[2-[3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxyphenyl]-1-oxo-1,2-thiazolidin-1-ylidene]acetamide
CID 163516994
[1-[4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzoyl]pyrrolidin-3-yl] N-tert-butylcarbamate
CID 71617574
tert-butyl 4-[2-[4-[4-amino-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]phenyl]ethyl]piperidine-1-carboxylate;ethane;methane;methanol
CID 171082006
N-[4-(3-chloro-4-cyanophenoxy)cyclohexyl]-2-[4-[2-[3-[4-(ethylsulfonylmethyl)-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]phenoxy]ethoxy]piperidin-1-yl]pyrimidine-5-carboxamide
CID 171082270
4-[5-(ethylsulfonylmethyl)-2-[3-(2-piperidin-4-yloxyethoxy)phenoxy]phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 171082228
4-[2-[4-[[7-[4-[(E)-1-(4-hydroxyphenyl)-2-phenylbut-1-enyl]phenyl]-7-azaspiro[3.5]nonan-2-yl]methyl]phenoxy]-5-(2-hydroxypropan-2-yl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 177266282
4-[2-(3,4-difluorophenoxy)-5-nitrophenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 86721045
tert-butyl 4-[4-[2-[3-[4-amino-2-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenoxy]phenyl]propan-2-yloxy]-2-methylbutan-2-yl]oxypiperidine-1-carboxylate
CID 171082456
4-[3-(2-methoxyphenoxy)-1-methyl-2-oxo-4-pyridinyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
CID 155234476
N-methyl-4-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-phenylbenzamide
CID 121334604
N-[4-(4,4-difluorocyclohexyl)oxy-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)phenyl]methanesulfonamide
CID 71617461

Frequently Asked Questions

What is the IUPAC name of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide?
The IUPAC name of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide (CID 175338243) is 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide.
What is the SMILES notation for 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide?
The canonical SMILES for 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide is Cn1cc(-c2cc(C(=O)NC3CCSC3)ccc2Oc2ccccc2)c2cc[nH]c2c1=O.
What is the InChIKey of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide?
The InChIKey is ASVUMPMKBWBSTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N3O3S/c1-28-14-21(19-9-11-26-23(19)25(28)30)20-13-16(24(29)27-17-10-12-32-15-17)7-8-22(20)31-18-5-3-2-4-6-18/h2-9,11,13-14,17,26H,10,12,15H2,1H3,(H,27,29).
What are the key properties of 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide?
3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide has a molecular weight of 445.54 g/mol, XLogP of 4.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-4-phenoxy-N-(thiolan-3-yl)benzamide is sourced from PubChem (CID 175338243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).