3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

C25H23F2N3O5S — CID 86288169

IUPAC3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(CS(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c(=O)c21
InChIInChI=1S/C25H23F2N3O5S/c1-29-14-20(18-6-7-28-25(31)24(18)29)19-12-16(15-36(32,33)30-8-10-34-11-9-30)2-4-22(19)35-23-5-3-17(26)13-21(23)27/h2-7,12-14H,8-11,15H2,1H3,(H,28,31)
InChIKeyHMSFXSMPPRBUEM-UHFFFAOYSA-N
MW515.54 g/mol
LogP3.77
Rot. Bonds6

About 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one

3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 86288169) has the molecular formula C25H23F2N3O5S and a molecular weight of 515.54 g/mol. Its IUPAC name is 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID86288169
Molecular FormulaC25H23F2N3O5S
Molecular Weight515.54 g/mol
Exact Mass515.13
IUPAC Name3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(CS(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c(=O)c21
InChIInChI=1S/C25H23F2N3O5S/c1-29-14-20(18-6-7-28-25(31)24(18)29)19-12-16(15-36(32,33)30-8-10-34-11-9-30)2-4-22(19)35-23-5-3-17(26)13-21(23)27/h2-7,12-14H,8-11,15H2,1H3,(H,28,31)
InChIKeyHMSFXSMPPRBUEM-UHFFFAOYSA-N
XLogP3.77
TPSA93.63 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500515.54
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one (CID 86288169) is 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2cc(CS(=O)(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c(=O)c21.
What is the InChIKey of 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is HMSFXSMPPRBUEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23F2N3O5S/c1-29-14-20(18-6-7-28-25(31)24(18)29)19-12-16(15-36(32,33)30-8-10-34-11-9-30)2-4-22(19)35-23-5-3-17(26)13-21(23)27/h2-7,12-14H,8-11,15H2,1H3,(H,28,31).
What are the key properties of 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one?
3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 515.54 g/mol, XLogP of 3.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(2,4-difluorophenoxy)-5-(morpholin-4-ylsulfonylmethyl)phenyl]-1-methyl-6H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 86288169), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).