2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one

C32H22N6O — CID 137297224

IUPAC2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C32H22N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h1-20,36H,(H,34,35)
InChIKeyYJYCZJKIOJGTKZ-UHFFFAOYSA-N
MW506.57 g/mol
LogP6.71
Rot. Bonds5

About 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one

2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 137297224) has the molecular formula C32H22N6O and a molecular weight of 506.57 g/mol. Its IUPAC name is 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID137297224
Molecular FormulaC32H22N6O
Molecular Weight506.57 g/mol
Exact Mass506.19
IUPAC Name2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESO=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12
InChIInChI=1S/C32H22N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h1-20,36H,(H,34,35)
InChIKeyYJYCZJKIOJGTKZ-UHFFFAOYSA-N
XLogP6.71
TPSA87.97 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.57
LogP ≤ 56.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one (CID 137297224) is 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one is O=c1c(-c2ccc3ncccc3c2)c(Nc2ccccn2)[nH]c2c(-c3ccccc3)c(-c3ccccc3)nn12.
What is the InChIKey of 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is YJYCZJKIOJGTKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H22N6O/c39-32-28(24-16-17-25-23(20-24)14-9-19-33-25)30(35-26-15-7-8-18-34-26)36-31-27(21-10-3-1-4-11-21)29(37-38(31)32)22-12-5-2-6-13-22/h1-20,36H,(H,34,35).
What are the key properties of 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one?
2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 506.57 g/mol, XLogP of 6.71, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-diphenyl-5-(pyridin-2-ylamino)-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 137297224), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).