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

C31H22N6O2 — CID 67320165

IUPAC2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1
InChIInChI=1S/C31H22N6O2/c32-26-10-3-1-7-24(26)30(38)34-19-12-14-20(15-13-19)35-31-36-27(18-21-16-17-33-37(21)31)25-9-5-8-23-22-6-2-4-11-28(22)39-29(23)25/h1-18H,32H2,(H,34,38)(H,35,36)
InChIKeyYNTWFAQPOGHKJM-UHFFFAOYSA-N
MW510.56 g/mol
LogP6.87
Rot. Bonds5

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

2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide (PubChem CID 67320165) has the molecular formula C31H22N6O2 and a molecular weight of 510.56 g/mol. Its IUPAC name is 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide.

Molecular Properties

Compound Name2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
PubChem CID67320165
Molecular FormulaC31H22N6O2
Molecular Weight510.56 g/mol
Exact Mass510.18
IUPAC Name2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
SMILESNc1ccccc1C(=O)Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1
InChIInChI=1S/C31H22N6O2/c32-26-10-3-1-7-24(26)30(38)34-19-12-14-20(15-13-19)35-31-36-27(18-21-16-17-33-37(21)31)25-9-5-8-23-22-6-2-4-11-28(22)39-29(23)25/h1-18H,32H2,(H,34,38)(H,35,36)
InChIKeyYNTWFAQPOGHKJM-UHFFFAOYSA-N
XLogP6.87
TPSA110.48 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500510.56
LogP ≤ 56.87
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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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
4-(2-aminoethyl)-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide
CID 67319878
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
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-2-(dimethylamino)benzamide
CID 156902536
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
4-amino-N-[4-[[5-(3-bromophenyl)pyrazolo[1,5-c]pyrimidin-7-yl]amino]phenyl]benzamide
CID 67319116
4-(2-aminoethyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]benzamide
CID 156902621
2-(4-aminophenyl)-N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]acetamide
CID 156902521
N-[4-[(2-dibenzofuran-4-yl-4-pyridinyl)amino]phenyl]-1,2,3,4-tetrahydroisoquinoline-6-carboxamide
CID 156902519
[2-[[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]carbamoyl]-4-pyridinyl]methylcarbamic acid
CID 66961946
5-(aminomethyl)-N-[4-[(6-dibenzofuran-4-ylpyrimidin-4-yl)amino]phenyl]pyridine-3-carboxamide
CID 66963332
2-(aminomethyl)-N-[4-[dibenzofuran-4-yl(pyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]pyridine-4-carboxamide
CID 91103245

Frequently Asked Questions

What is the IUPAC name of 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The IUPAC name of 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide (CID 67320165) is 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide.
What is the SMILES notation for 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The canonical SMILES for 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide is Nc1ccccc1C(=O)Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1.
What is the InChIKey of 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
The InChIKey is YNTWFAQPOGHKJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H22N6O2/c32-26-10-3-1-7-24(26)30(38)34-19-12-14-20(15-13-19)35-31-36-27(18-21-16-17-33-37(21)31)25-9-5-8-23-22-6-2-4-11-28(22)39-29(23)25/h1-18H,32H2,(H,34,38)(H,35,36).
What are the key properties of 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide?
2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide has a molecular weight of 510.56 g/mol, XLogP of 6.87, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]benzamide is sourced from PubChem (CID 67320165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).