5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

C27H19N5O — CID 156823924

IUPAC5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H19N5O/c28-25-23(20-13-14-21-19(16-20)12-7-15-29-21)27(33)32-26(30-25)22(17-8-3-1-4-9-17)24(31-32)18-10-5-2-6-11-18/h1-16,31H,28H2
InChIKeySQUGYPLMLGRSIW-UHFFFAOYSA-N
MW429.48 g/mol
LogP5.15
Rot. Bonds3

About 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one

5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 156823924) has the molecular formula C27H19N5O and a molecular weight of 429.48 g/mol. Its IUPAC name is 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID156823924
Molecular FormulaC27H19N5O
Molecular Weight429.48 g/mol
Exact Mass429.16
IUPAC Name5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESNc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1
InChIInChI=1S/C27H19N5O/c28-25-23(20-13-14-21-19(16-20)12-7-15-29-21)27(33)32-26(30-25)22(17-8-3-1-4-9-17)24(31-32)18-10-5-2-6-11-18/h1-16,31H,28H2
InChIKeySQUGYPLMLGRSIW-UHFFFAOYSA-N
XLogP5.15
TPSA89.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500429.48
LogP ≤ 55.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 156823924) is 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is Nc1nc2c(-c3ccccc3)c(-c3ccccc3)[nH]n2c(=O)c1-c1ccc2ncccc2c1.
What is the InChIKey of 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is SQUGYPLMLGRSIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H19N5O/c28-25-23(20-13-14-21-19(16-20)12-7-15-29-21)27(33)32-26(30-25)22(17-8-3-1-4-9-17)24(31-32)18-10-5-2-6-11-18/h1-16,31H,28H2.
What are the key properties of 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one?
5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 429.48 g/mol, XLogP of 5.15, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 156823924), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).