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

C25H21F2N3O4 — CID 71617575

IUPAC4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(C(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
InChIInChI=1S/C25H21F2N3O4/c1-29-14-19(17-6-7-28-23(17)25(29)32)18-12-15(24(31)30-8-10-33-11-9-30)2-4-21(18)34-22-5-3-16(26)13-20(22)27/h2-7,12-14,28H,8-11H2,1H3
InChIKeyKOZYZBOEVUBCLS-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.08
Rot. Bonds4

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

4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (PubChem CID 71617575) has the molecular formula C25H21F2N3O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.

Molecular Properties

Compound Name4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
PubChem CID71617575
Molecular FormulaC25H21F2N3O4
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one
SMILESCn1cc(-c2cc(C(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
InChIInChI=1S/C25H21F2N3O4/c1-29-14-19(17-6-7-28-23(17)25(29)32)18-12-15(24(31)30-8-10-33-11-9-30)2-4-21(18)34-22-5-3-16(26)13-20(22)27/h2-7,12-14,28H,8-11H2,1H3
InChIKeyKOZYZBOEVUBCLS-UHFFFAOYSA-N
XLogP4.08
TPSA76.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The IUPAC name of 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one (CID 71617575) is 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one.
What is the SMILES notation for 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The canonical SMILES for 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is Cn1cc(-c2cc(C(=O)N3CCOCC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O.
What is the InChIKey of 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
The InChIKey is KOZYZBOEVUBCLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O4/c1-29-14-19(17-6-7-28-23(17)25(29)32)18-12-15(24(31)30-8-10-33-11-9-30)2-4-21(18)34-22-5-3-16(26)13-20(22)27/h2-7,12-14,28H,8-11H2,1H3.
What are the key properties of 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one?
4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one has a molecular weight of 465.46 g/mol, XLogP of 4.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(2,4-difluorophenoxy)-5-(morpholine-4-carbonyl)phenyl]-6-methyl-1H-pyrrolo[2,3-c]pyridin-7-one is sourced from PubChem (CID 71617575), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).