4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one

C29H23N5O — CID 134347318

IUPAC4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESNCCn1cc(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H23N5O/c30-15-17-33-19-24(22-13-14-25-23(18-22)12-7-16-31-25)29(35)34-28(33)26(20-8-3-1-4-9-20)27(32-34)21-10-5-2-6-11-21/h1-14,16,18-19H,15,17,30H2
InChIKeyWICMOQIRLYRYKZ-UHFFFAOYSA-N
MW457.54 g/mol
LogP5.00
Rot. Bonds5

About 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one

4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 134347318) has the molecular formula C29H23N5O and a molecular weight of 457.54 g/mol. Its IUPAC name is 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
PubChem CID134347318
Molecular FormulaC29H23N5O
Molecular Weight457.54 g/mol
Exact Mass457.19
IUPAC Name4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one
SMILESNCCn1cc(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c12
InChIInChI=1S/C29H23N5O/c30-15-17-33-19-24(22-13-14-25-23(18-22)12-7-16-31-25)29(35)34-28(33)26(20-8-3-1-4-9-20)27(32-34)21-10-5-2-6-11-21/h1-14,16,18-19H,15,17,30H2
InChIKeyWICMOQIRLYRYKZ-UHFFFAOYSA-N
XLogP5.00
TPSA78.21 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.54
LogP ≤ 55.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one;4-(2-hydroxyethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one;2-(7-oxo-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-4-yl)ethyl methanesulfonate
CID 161176436
3-bromo-5-methyl-2-phenyl-6-quinolin-6-yl-4-(2-trimethylsilylethoxymethyl)pyrazolo[1,5-a]pyrimidin-7-one
CID 140853476
5-(chloromethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 148783799
5-(methylaminomethyl)-2,3-diphenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 153189042
5-amino-2,3-diphenyl-6-quinolin-6-yl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 156823924
7-phenyl-6-quinolin-6-yl-1H-1,8-naphthyridin-4-one
CID 137423248
3-methyl-6-phenyl-5-quinolin-6-ylpyrazin-2-amine
CID 137430865
1-methyl-2-quinolin-6-ylimidazol-4-ol
CID 106952318
6-phenyl-2-(2-quinolin-6-ylethyl)pyridazin-3-one
CID 59843000
7-methyl-1-phenyl-2-pyridin-4-yl-6-quinolin-6-yl-8H-indolizin-5-one
CID 165103704
2-(3-chlorophenyl)-5-methyl-3-phenyl-6-quinolin-6-yl-4H-pyrazolo[1,5-a]pyridin-7-one
CID 147365910
3-[3-[2-(1H-imidazol-5-yl)ethyl]-5-phenylimidazol-4-yl]quinoline
CID 50977151

Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one (CID 134347318) is 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one is NCCn1cc(-c2ccc3ncccc3c2)c(=O)n2nc(-c3ccccc3)c(-c3ccccc3)c12.
What is the InChIKey of 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is WICMOQIRLYRYKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H23N5O/c30-15-17-33-19-24(22-13-14-25-23(18-22)12-7-16-31-25)29(35)34-28(33)26(20-8-3-1-4-9-20)27(32-34)21-10-5-2-6-11-21/h1-14,16,18-19H,15,17,30H2.
What are the key properties of 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one?
4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 457.54 g/mol, XLogP of 5.00, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-2,3-diphenyl-6-quinolin-6-ylpyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 134347318), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).