N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide

C33H25N5O3 — CID 91424794

IUPACN-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(N(c3cccc4c3oc3ccccc34)c3nccc4ccnn34)c2)cc1
InChIInChI=1S/C33H25N5O3/c1-40-26-14-12-22(13-15-26)20-31(39)36-23-6-4-7-25(21-23)37(33-34-18-16-24-17-19-35-38(24)33)29-10-5-9-28-27-8-2-3-11-30(27)41-32(28)29/h2-19,21H,20H2,1H3,(H,36,39)
InChIKeyUXPBCYFCHULMDZ-UHFFFAOYSA-N
MW539.60 g/mol
LogP7.29
Rot. Bonds7

About N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide

N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide (PubChem CID 91424794) has the molecular formula C33H25N5O3 and a molecular weight of 539.60 g/mol. Its IUPAC name is N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
PubChem CID91424794
Molecular FormulaC33H25N5O3
Molecular Weight539.60 g/mol
Exact Mass539.20
IUPAC NameN-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)Nc2cccc(N(c3cccc4c3oc3ccccc34)c3nccc4ccnn34)c2)cc1
InChIInChI=1S/C33H25N5O3/c1-40-26-14-12-22(13-15-26)20-31(39)36-23-6-4-7-25(21-23)37(33-34-18-16-24-17-19-35-38(24)33)29-10-5-9-28-27-8-2-3-11-30(27)41-32(28)29/h2-19,21H,20H2,1H3,(H,36,39)
InChIKeyUXPBCYFCHULMDZ-UHFFFAOYSA-N
XLogP7.29
TPSA84.90 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500539.60
LogP ≤ 57.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide with MolForge

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

Launch Full Analysis

Related Compounds

N-dibenzofuran-2-yl-2-[(4-methoxyphenyl)methyl-methylamino]acetamide
CID 8557300
2-[3-[(4-methoxyphenyl)methyl]-2,4-dioxo-[1]benzofuro[3,2-d]pyrimidin-1-yl]-N-phenylacetamide
CID 20900412
2-(4-methoxyphenyl)-N-pyridin-4-ylacetamide
CID 4228325
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-3-phenylpropanamide
CID 17222836
2-(4-methoxyphenyl)-N-(3-propoxyphenyl)acetamide
CID 17096682
N-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]-2,2-dimethylpropanamide
CID 17296413
2-(4-methoxyphenyl)-N-[3-[3-[[2-(4-methoxyphenyl)acetyl]amino]phenyl]sulfonylphenyl]acetamide
CID 5077969
N-(3-formylphenyl)-2-(4-methoxyphenyl)acetamide
CID 106912590
2-(4-methoxyphenyl)-N-(3-propan-2-yloxyphenyl)acetamide
CID 17154686
N-(3-benzyl-4-methoxyphenyl)-2-(4-methoxyphenyl)acetamide
CID 27038651
2-(4-bromophenyl)-N-(3-methoxyphenyl)acetamide
CID 2205638
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521

Frequently Asked Questions

What is the IUPAC name of N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide?
The IUPAC name of N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide (CID 91424794) is N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide.
What is the SMILES notation for N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide?
The canonical SMILES for N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide is COc1ccc(CC(=O)Nc2cccc(N(c3cccc4c3oc3ccccc34)c3nccc4ccnn34)c2)cc1.
What is the InChIKey of N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide?
The InChIKey is UXPBCYFCHULMDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H25N5O3/c1-40-26-14-12-22(13-15-26)20-31(39)36-23-6-4-7-25(21-23)37(33-34-18-16-24-17-19-35-38(24)33)29-10-5-9-28-27-8-2-3-11-30(27)41-32(28)29/h2-19,21H,20H2,1H3,(H,36,39).
What are the key properties of N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide?
N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide has a molecular weight of 539.60 g/mol, XLogP of 7.29, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 91424794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).