4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

C26H18F3N5O2 — CID 146555614

IUPAC4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Oc1nc(-c2ccncc2)nc2cc[nH]c12
InChIInChI=1S/C26H18F3N5O2/c1-15-5-6-17(24(35)32-19-4-2-3-18(14-19)26(27,28)29)13-21(15)36-25-22-20(9-12-31-22)33-23(34-25)16-7-10-30-11-8-16/h2-14,31H,1H3,(H,32,35)
InChIKeyUTYNVFDCHMXKEY-UHFFFAOYSA-N
MW489.46 g/mol
LogP6.39
Rot. Bonds5

About 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide

4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (PubChem CID 146555614) has the molecular formula C26H18F3N5O2 and a molecular weight of 489.46 g/mol. Its IUPAC name is 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.

Molecular Properties

Compound Name4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
PubChem CID146555614
Molecular FormulaC26H18F3N5O2
Molecular Weight489.46 g/mol
Exact Mass489.14
IUPAC Name4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide
SMILESCc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Oc1nc(-c2ccncc2)nc2cc[nH]c12
InChIInChI=1S/C26H18F3N5O2/c1-15-5-6-17(24(35)32-19-4-2-3-18(14-19)26(27,28)29)13-21(15)36-25-22-20(9-12-31-22)33-23(34-25)16-7-10-30-11-8-16/h2-14,31H,1H3,(H,32,35)
InChIKeyUTYNVFDCHMXKEY-UHFFFAOYSA-N
XLogP6.39
TPSA92.79 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500489.46
LogP ≤ 56.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide 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 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The IUPAC name of 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide (CID 146555614) is 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide.
What is the SMILES notation for 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The canonical SMILES for 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is Cc1ccc(C(=O)Nc2cccc(C(F)(F)F)c2)cc1Oc1nc(-c2ccncc2)nc2cc[nH]c12.
What is the InChIKey of 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
The InChIKey is UTYNVFDCHMXKEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H18F3N5O2/c1-15-5-6-17(24(35)32-19-4-2-3-18(14-19)26(27,28)29)13-21(15)36-25-22-20(9-12-31-22)33-23(34-25)16-7-10-30-11-8-16/h2-14,31H,1H3,(H,32,35).
What are the key properties of 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide?
4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide has a molecular weight of 489.46 g/mol, XLogP of 6.39, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-3-[(2-pyridin-4-yl-5H-pyrrolo[3,2-d]pyrimidin-4-yl)oxy]-N-[3-(trifluoromethyl)phenyl]benzamide is sourced from PubChem (CID 146555614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).