4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

C18H14BrN3O — CID 135621384

IUPAC4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(Br)cc2)c2c(n[nH]c2-c2ccccc2)N1
InChIInChI=1S/C18H14BrN3O/c19-13-8-6-11(7-9-13)14-10-15(23)20-18-16(14)17(21-22-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,20,21,22,23)
InChIKeyDQYCHAUIFCSIKN-UHFFFAOYSA-N
MW368.23 g/mol
LogP4.31
Rot. Bonds2

About 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one

4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (PubChem CID 135621384) has the molecular formula C18H14BrN3O and a molecular weight of 368.23 g/mol. Its IUPAC name is 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.

Molecular Properties

Compound Name4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
PubChem CID135621384
Molecular FormulaC18H14BrN3O
Molecular Weight368.23 g/mol
Exact Mass367.03
IUPAC Name4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one
SMILESO=C1CC(c2ccc(Br)cc2)c2c(n[nH]c2-c2ccccc2)N1
InChIInChI=1S/C18H14BrN3O/c19-13-8-6-11(7-9-13)14-10-15(23)20-18-16(14)17(21-22-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,20,21,22,23)
InChIKeyDQYCHAUIFCSIKN-UHFFFAOYSA-N
XLogP4.31
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.23
LogP ≤ 54.31
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The IUPAC name of 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one (CID 135621384) is 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one.
What is the SMILES notation for 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The canonical SMILES for 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is O=C1CC(c2ccc(Br)cc2)c2c(n[nH]c2-c2ccccc2)N1.
What is the InChIKey of 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
The InChIKey is DQYCHAUIFCSIKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3O/c19-13-8-6-11(7-9-13)14-10-15(23)20-18-16(14)17(21-22-18)12-4-2-1-3-5-12/h1-9,14H,10H2,(H2,20,21,22,23).
What are the key properties of 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one?
4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one has a molecular weight of 368.23 g/mol, XLogP of 4.31, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-bromophenyl)-3-phenyl-2,4,5,7-tetrahydropyrazolo[3,4-b]pyridin-6-one is sourced from PubChem (CID 135621384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).