3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

C24H27N5O2 — CID 45166050

IUPAC3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
SMILESCCCc1nc2cccnc2n1C1CCN(C(=O)CC2NC(=O)c3ccccc32)CC1
InChIInChI=1S/C24H27N5O2/c1-2-6-21-26-19-9-5-12-25-23(19)29(21)16-10-13-28(14-11-16)22(30)15-20-17-7-3-4-8-18(17)24(31)27-20/h3-5,7-9,12,16,20H,2,6,10-11,13-15H2,1H3,(H,27,31)
InChIKeyIHROJUQAGKGFDF-UHFFFAOYSA-N
MW417.51 g/mol
LogP3.42
Rot. Bonds5

About 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one

3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one (PubChem CID 45166050) has the molecular formula C24H27N5O2 and a molecular weight of 417.51 g/mol. Its IUPAC name is 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
PubChem CID45166050
Molecular FormulaC24H27N5O2
Molecular Weight417.51 g/mol
Exact Mass417.22
IUPAC Name3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one
SMILESCCCc1nc2cccnc2n1C1CCN(C(=O)CC2NC(=O)c3ccccc32)CC1
InChIInChI=1S/C24H27N5O2/c1-2-6-21-26-19-9-5-12-25-23(19)29(21)16-10-13-28(14-11-16)22(30)15-20-17-7-3-4-8-18(17)24(31)27-20/h3-5,7-9,12,16,20H,2,6,10-11,13-15H2,1H3,(H,27,31)
InChIKeyIHROJUQAGKGFDF-UHFFFAOYSA-N
XLogP3.42
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500417.51
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[2-[4-[2-[(4-methylphenoxy)methyl]benzimidazol-1-yl]piperidin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 45234278
2-phenoxy-1-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108195
1-[3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 53186771
[(4S)-2,2-dimethyloxan-4-yl]-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]methanone
CID 42483716
(2,5-dimethylphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108153
2-(3-fluorophenyl)-1-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]ethanone
CID 95108186
[4-(2-ethylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]-(1H-indol-2-yl)methanone
CID 95826189
(3R)-3-[2-[4-(5,6-dimethylpyrimidin-4-yl)piperazin-1-yl]-2-oxoethyl]-2,3-dihydroisoindol-1-one
CID 125170500
(3-methoxyphenyl)-[(3R)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108149
2-propyl-3-[1-(thiolan-3-yl)piperidin-4-yl]imidazo[4,5-b]pyridine
CID 118758723
1,3-benzodioxol-5-yl-[(3S)-3-(2-propylimidazo[4,5-b]pyridin-3-yl)pyrrolidin-1-yl]methanone
CID 95108192
N-methyl-N-[(1R)-1-[1-[2-[(1S)-3-oxo-1,2-dihydroisoindol-1-yl]acetyl]piperidin-4-yl]-2-phenylethyl]pyridine-2-carboxamide
CID 26345512

Frequently Asked Questions

What is the IUPAC name of 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one (CID 45166050) is 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one is CCCc1nc2cccnc2n1C1CCN(C(=O)CC2NC(=O)c3ccccc32)CC1.
What is the InChIKey of 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
The InChIKey is IHROJUQAGKGFDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H27N5O2/c1-2-6-21-26-19-9-5-12-25-23(19)29(21)16-10-13-28(14-11-16)22(30)15-20-17-7-3-4-8-18(17)24(31)27-20/h3-5,7-9,12,16,20H,2,6,10-11,13-15H2,1H3,(H,27,31).
What are the key properties of 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one?
3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one has a molecular weight of 417.51 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-oxo-2-[4-(2-propylimidazo[4,5-b]pyridin-3-yl)piperidin-1-yl]ethyl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 45166050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).