4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide

C33H26N6O2 — CID 67319878

IUPAC4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
SMILESNCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1
InChIInChI=1S/C33H26N6O2/c34-18-16-21-8-10-22(11-9-21)32(40)36-23-12-14-24(15-13-23)37-33-38-29(20-25-17-19-35-39(25)33)28-6-3-5-27-26-4-1-2-7-30(26)41-31(27)28/h1-15,17,19-20H,16,18,34H2,(H,36,40)(H,37,38)
InChIKeyXLPBHXUQJGPJBD-UHFFFAOYSA-N
MW538.61 g/mol
LogP6.79
Rot. Bonds7

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

4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide (PubChem CID 67319878) has the molecular formula C33H26N6O2 and a molecular weight of 538.61 g/mol. Its IUPAC name is 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
PubChem CID67319878
Molecular FormulaC33H26N6O2
Molecular Weight538.61 g/mol
Exact Mass538.21
IUPAC Name4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
SMILESNCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1
InChIInChI=1S/C33H26N6O2/c34-18-16-21-8-10-22(11-9-21)32(40)36-23-12-14-24(15-13-23)37-33-38-29(20-25-17-19-35-39(25)33)28-6-3-5-27-26-4-1-2-7-30(26)41-31(27)28/h1-15,17,19-20H,16,18,34H2,(H,36,40)(H,37,38)
InChIKeyXLPBHXUQJGPJBD-UHFFFAOYSA-N
XLogP6.79
TPSA110.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500538.61
LogP ≤ 56.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide with MolForge

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Related Compounds

4-(aminomethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319437
2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67320165
4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
tert-butyl N-[[4-[[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]carbamoyl]phenyl]methyl]-N-[2-(oxan-2-yloxy)ethyl]carbamate
CID 67319237
4-(2-aminoethyl)-N-[3-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]benzamide;2,2,2-trifluoroacetic acid
CID 66963237
4-amino-N-[4-[[5-(3-bromophenyl)pyrazolo[1,5-c]pyrimidin-7-yl]amino]phenyl]benzamide
CID 67319116
tert-butyl-[2-[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]ethyl]carbamic acid
CID 69021304
N-[4-[[5-[4-(2-methoxyphenyl)phenyl]pyrazolo[1,5-c]pyrimidin-7-yl]amino]phenyl]-4-methylbenzamide
CID 91540443
tert-butyl-[[4-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]phenyl]methyl]carbamic acid
CID 69020380
tert-butyl N-[3-[3-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]anilino]-2-(3,4-dichlorophenyl)-3-oxopropyl]carbamate
CID 67319957
5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 66963332
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 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The IUPAC name of 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide (CID 67319878) is 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide.
What is the SMILES notation for 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The canonical SMILES for 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide is NCCc1ccc(C(=O)Nc2ccc(Nc3nc(-c4cccc5c4oc4ccccc45)cc4ccnn34)cc2)cc1.
What is the InChIKey of 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The InChIKey is XLPBHXUQJGPJBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H26N6O2/c34-18-16-21-8-10-22(11-9-21)32(40)36-23-12-14-24(15-13-23)37-33-38-29(20-25-17-19-35-39(25)33)28-6-3-5-27-26-4-1-2-7-30(26)41-31(27)28/h1-15,17,19-20H,16,18,34H2,(H,36,40)(H,37,38).
What are the key properties of 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide has a molecular weight of 538.61 g/mol, XLogP of 6.79, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide is sourced from PubChem (CID 67319878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).