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

C31H20FN5O2 — CID 67319839

IUPACN-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1)c1ccc(F)cc1
InChIInChI=1S/C31H20FN5O2/c32-20-10-8-19(9-11-20)30(38)34-21-12-14-22(15-13-21)35-31-36-27(18-23-16-17-33-37(23)31)26-6-3-5-25-24-4-1-2-7-28(24)39-29(25)26/h1-18H,(H,34,38)(H,35,36)
InChIKeyMIYSNBDPNSFRAQ-UHFFFAOYSA-N
MW513.53 g/mol
LogP7.43
Rot. Bonds5

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

N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide (PubChem CID 67319839) has the molecular formula C31H20FN5O2 and a molecular weight of 513.53 g/mol. Its IUPAC name is N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide.

Molecular Properties

Compound NameN-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide
PubChem CID67319839
Molecular FormulaC31H20FN5O2
Molecular Weight513.53 g/mol
Exact Mass513.16
IUPAC NameN-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide
SMILESO=C(Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1)c1ccc(F)cc1
InChIInChI=1S/C31H20FN5O2/c32-20-10-8-19(9-11-20)30(38)34-21-12-14-22(15-13-21)35-31-36-27(18-23-16-17-33-37(23)31)26-6-3-5-25-24-4-1-2-7-28(24)39-29(25)26/h1-18H,(H,34,38)(H,35,36)
InChIKeyMIYSNBDPNSFRAQ-UHFFFAOYSA-N
XLogP7.43
TPSA84.46 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500513.53
LogP ≤ 57.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide?
The IUPAC name of N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide (CID 67319839) is N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide.
What is the SMILES notation for N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide?
The canonical SMILES for N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide is O=C(Nc1ccc(Nc2nc(-c3cccc4c3oc3ccccc34)cc3ccnn23)cc1)c1ccc(F)cc1.
What is the InChIKey of N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide?
The InChIKey is MIYSNBDPNSFRAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H20FN5O2/c32-20-10-8-19(9-11-20)30(38)34-21-12-14-22(15-13-21)35-31-36-27(18-23-16-17-33-37(23)31)26-6-3-5-25-24-4-1-2-7-28(24)39-29(25)26/h1-18H,(H,34,38)(H,35,36).
What are the key properties of N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide?
N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide has a molecular weight of 513.53 g/mol, XLogP of 7.43, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[(5-dibenzofuran-4-ylpyrazolo[1,5-c]pyrimidin-7-yl)amino]phenyl]-4-fluorobenzamide is sourced from PubChem (CID 67319839), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).