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

C26H22F2N4O4 — CID 71617573

IUPAC4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4[nH]ccc34)c2)C1=O
InChIInChI=1S/C26H22F2N4O4/c1-31-10-8-20(25(31)34)30-24(33)14-3-5-21(36-22-6-4-15(27)12-19(22)28)17(11-14)18-13-32(2)26(35)23-16(18)7-9-29-23/h3-7,9,11-13,20,29H,8,10H2,1-2H3,(H,30,33)
InChIKeyDOWUWPUSHQOJHM-UHFFFAOYSA-N
MW492.48 g/mol
LogP3.56
Rot. Bonds5

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

4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide (PubChem CID 71617573) has the molecular formula C26H22F2N4O4 and a molecular weight of 492.48 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
PubChem CID71617573
Molecular FormulaC26H22F2N4O4
Molecular Weight492.48 g/mol
Exact Mass492.16
IUPAC Name4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide
SMILESCN1CCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4[nH]ccc34)c2)C1=O
InChIInChI=1S/C26H22F2N4O4/c1-31-10-8-20(25(31)34)30-24(33)14-3-5-21(36-22-6-4-15(27)12-19(22)28)17(11-14)18-13-32(2)26(35)23-16(18)7-9-29-23/h3-7,9,11-13,20,29H,8,10H2,1-2H3,(H,30,33)
InChIKeyDOWUWPUSHQOJHM-UHFFFAOYSA-N
XLogP3.56
TPSA96.43 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500492.48
LogP ≤ 53.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide (CID 71617573) is 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide is CN1CCC(NC(=O)c2ccc(Oc3ccc(F)cc3F)c(-c3cn(C)c(=O)c4[nH]ccc34)c2)C1=O.
What is the InChIKey of 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
The InChIKey is DOWUWPUSHQOJHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H22F2N4O4/c1-31-10-8-20(25(31)34)30-24(33)14-3-5-21(36-22-6-4-15(27)12-19(22)28)17(11-14)18-13-32(2)26(35)23-16(18)7-9-29-23/h3-7,9,11-13,20,29H,8,10H2,1-2H3,(H,30,33).
What are the key properties of 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide?
4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide has a molecular weight of 492.48 g/mol, XLogP of 3.56, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,4-difluorophenoxy)-N-(1-methyl-2-oxopyrrolidin-3-yl)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)benzamide is sourced from PubChem (CID 71617573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).