3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one

C23H19N5O — CID 66699594

IUPAC3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C23H19N5O/c1-2-20(15-8-4-3-5-9-15)28-22-21(27-23(28)29)25-14-19(26-22)17-10-6-12-18-16(17)11-7-13-24-18/h3-14,20H,2H2,1H3,(H,25,27,29)/t20-/m1/s1
InChIKeyDIZWAEYOHSAAHB-HXUWFJFHSA-N
MW381.44 g/mol
LogP4.33
Rot. Bonds4

About 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one

3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one (PubChem CID 66699594) has the molecular formula C23H19N5O and a molecular weight of 381.44 g/mol. Its IUPAC name is 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one.

Molecular Properties

Compound Name3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
PubChem CID66699594
Molecular FormulaC23H19N5O
Molecular Weight381.44 g/mol
Exact Mass381.16
IUPAC Name3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
SMILESCC[C@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc4ncccc34)nc21
InChIInChI=1S/C23H19N5O/c1-2-20(15-8-4-3-5-9-15)28-22-21(27-23(28)29)25-14-19(26-22)17-10-6-12-18-16(17)11-7-13-24-18/h3-14,20H,2H2,1H3,(H,25,27,29)/t20-/m1/s1
InChIKeyDIZWAEYOHSAAHB-HXUWFJFHSA-N
XLogP4.33
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.44
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-benzhydryl-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984854
3-[1-(4-methoxyphenyl)ethyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one
CID 66699691
3-(1-phenylethyl)-5-quinolin-5-yl-1H-imidazo[4,5-b]pyridin-2-one
CID 24984680
1-methyl-3-[(1R)-1-phenylethyl]-5-quinolin-5-ylimidazo[4,5-b]pyrazin-2-one
CID 66699767
1-(cyclopropylmethyl)-5-quinolin-5-yl-3H-imidazo[4,5-b]pyrazin-2-one
CID 126473251
5-(3-hydroxyphenyl)-3-[(1R)-1-phenylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 126475662
3-propan-2-yl-5-(3-propan-2-ylphenyl)-1H-imidazo[4,5-b]pyrazin-2-one
CID 24984851
3-[1-(4-chlorophenyl)ethyl]-5-[1-(4-methylsulfonylphenyl)-2-quinolin-5-ylethyl]-1H-imidazo[4,5-b]pyrazin-2-one
CID 67318843
5-[3-[(1R)-1-phenylethyl]-1,2-dihydroimidazo[4,5-b]pyridin-5-yl]quinoline
CID 91137046
N-[4-[2-oxo-3-(1-phenylethyl)-1H-imidazo[4,5-b]pyrazin-5-yl]phenyl]methanesulfonamide
CID 24985191
(2R)-3-methyl-2-(5-quinolin-5-ylimidazo[4,5-b]pyrazin-3-yl)butan-1-ol
CID 141358659
2-(1-chloroethyl)-3-(1-phenylpropyl)imidazo[4,5-b]pyridine
CID 79273265

Frequently Asked Questions

What is the IUPAC name of 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The IUPAC name of 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one (CID 66699594) is 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one.
What is the SMILES notation for 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The canonical SMILES for 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one is CC[C@H](c1ccccc1)n1c(=O)[nH]c2ncc(-c3cccc4ncccc34)nc21.
What is the InChIKey of 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
The InChIKey is DIZWAEYOHSAAHB-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H19N5O/c1-2-20(15-8-4-3-5-9-15)28-22-21(27-23(28)29)25-14-19(26-22)17-10-6-12-18-16(17)11-7-13-24-18/h3-14,20H,2H2,1H3,(H,25,27,29)/t20-/m1/s1.
What are the key properties of 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one?
3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one has a molecular weight of 381.44 g/mol, XLogP of 4.33, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(1R)-1-phenylpropyl]-5-quinolin-5-yl-1H-imidazo[4,5-b]pyrazin-2-one is sourced from PubChem (CID 66699594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).