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

C25H21F2N3O4 — CID 71617576

IUPAC4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide
SMILESCn1cc(-c2cc(C(=O)NC3CCOC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
InChIInChI=1S/C25H21F2N3O4/c1-30-12-19(17-6-8-28-23(17)25(30)32)18-10-14(24(31)29-16-7-9-33-13-16)2-4-21(18)34-22-5-3-15(26)11-20(22)27/h2-6,8,10-12,16,28H,7,9,13H2,1H3,(H,29,31)
InChIKeyBJRGWWJCWIVVKN-UHFFFAOYSA-N
MW465.46 g/mol
LogP4.12
Rot. Bonds5

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

4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide (PubChem CID 71617576) has the molecular formula C25H21F2N3O4 and a molecular weight of 465.46 g/mol. Its IUPAC name is 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide.

Molecular Properties

Compound Name4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide
PubChem CID71617576
Molecular FormulaC25H21F2N3O4
Molecular Weight465.46 g/mol
Exact Mass465.15
IUPAC Name4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide
SMILESCn1cc(-c2cc(C(=O)NC3CCOC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O
InChIInChI=1S/C25H21F2N3O4/c1-30-12-19(17-6-8-28-23(17)25(30)32)18-10-14(24(31)29-16-7-9-33-13-16)2-4-21(18)34-22-5-3-15(26)11-20(22)27/h2-6,8,10-12,16,28H,7,9,13H2,1H3,(H,29,31)
InChIKeyBJRGWWJCWIVVKN-UHFFFAOYSA-N
XLogP4.12
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.46
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide?
The IUPAC name of 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide (CID 71617576) is 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide.
What is the SMILES notation for 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide?
The canonical SMILES for 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide is Cn1cc(-c2cc(C(=O)NC3CCOC3)ccc2Oc2ccc(F)cc2F)c2cc[nH]c2c1=O.
What is the InChIKey of 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide?
The InChIKey is BJRGWWJCWIVVKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F2N3O4/c1-30-12-19(17-6-8-28-23(17)25(30)32)18-10-14(24(31)29-16-7-9-33-13-16)2-4-21(18)34-22-5-3-15(26)11-20(22)27/h2-6,8,10-12,16,28H,7,9,13H2,1H3,(H,29,31).
What are the key properties of 4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide?
4-(2,4-difluorophenoxy)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide has a molecular weight of 465.46 g/mol, XLogP of 4.12, 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)-3-(6-methyl-7-oxo-1H-pyrrolo[2,3-c]pyridin-4-yl)-N-(oxolan-3-yl)benzamide is sourced from PubChem (CID 71617576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).