4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide

C32H23FN6O2 — CID 67319889

IUPAC4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide
SMILESNCc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)c2)c(F)c1
InChIInChI=1S/C32H23FN6O2/c33-27-15-19(18-34)11-12-25(27)31(40)36-20-5-3-6-21(16-20)37-32-38-28(17-22-13-14-35-39(22)32)26-9-4-8-24-23-7-1-2-10-29(23)41-30(24)26/h1-17H,18,34H2,(H,36,40)(H,37,38)
InChIKeyIDCOKGKDYLTUKS-UHFFFAOYSA-N
MW542.57 g/mol
LogP6.89
Rot. Bonds6

About 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide

4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide (PubChem CID 67319889) has the molecular formula C32H23FN6O2 and a molecular weight of 542.57 g/mol. Its IUPAC name is 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide.

Molecular Properties

Compound Name4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide
PubChem CID67319889
Molecular FormulaC32H23FN6O2
Molecular Weight542.57 g/mol
Exact Mass542.19
IUPAC Name4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide
SMILESNCc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)c2)c(F)c1
InChIInChI=1S/C32H23FN6O2/c33-27-15-19(18-34)11-12-25(27)31(40)36-20-5-3-6-21(16-20)37-32-38-28(17-22-13-14-35-39(22)32)26-9-4-8-24-23-7-1-2-10-29(23)41-30(24)26/h1-17H,18,34H2,(H,36,40)(H,37,38)
InChIKeyIDCOKGKDYLTUKS-UHFFFAOYSA-N
XLogP6.89
TPSA110.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500542.57
LogP ≤ 56.89
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide 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-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide?
The IUPAC name of 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide (CID 67319889) is 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide.
What is the SMILES notation for 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide?
The canonical SMILES for 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide is NCc1ccc(C(=O)Nc2cccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)c2)c(F)c1.
What is the InChIKey of 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide?
The InChIKey is IDCOKGKDYLTUKS-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H23FN6O2/c33-27-15-19(18-34)11-12-25(27)31(40)36-20-5-3-6-21(16-20)37-32-38-28(17-22-13-14-35-39(22)32)26-9-4-8-24-23-7-1-2-10-29(23)41-30(24)26/h1-17H,18,34H2,(H,36,40)(H,37,38).
What are the key properties of 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide?
4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide has a molecular weight of 542.57 g/mol, XLogP of 6.89, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(aminomethyl)-N-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-2-fluorobenzamide is sourced from PubChem (CID 67319889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).