3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

C28H35ClN8O3 — CID 90684144

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(C(C)n2c(N3CC(=O)N(C)C[C@H]3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H35ClN8O3/c1-15-5-7-18(8-6-15)17(3)37-25-21(32-27(37)36-14-23(38)35(4)13-16(36)2)10-22(26-33-28(39)40-34-26)31-24(25)19-9-20(29)12-30-11-19/h9-12,15-18,26,34H,5-8,13-14H2,1-4H3,(H,33,39)/t15?,16-,17?,18?,26?/m1/s1
InChIKeyBXVSBWXYNFTGMU-GZXOSAERSA-N
MW567.09 g/mol
LogP4.44
Rot. Bonds5

About 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one

3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (PubChem CID 90684144) has the molecular formula C28H35ClN8O3 and a molecular weight of 567.09 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
PubChem CID90684144
Molecular FormulaC28H35ClN8O3
Molecular Weight567.09 g/mol
Exact Mass566.25
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
SMILESCC1CCC(C(C)n2c(N3CC(=O)N(C)C[C@H]3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1
InChIInChI=1S/C28H35ClN8O3/c1-15-5-7-18(8-6-15)17(3)37-25-21(32-27(37)36-14-23(38)35(4)13-16(36)2)10-22(26-33-28(39)40-34-26)31-24(25)19-9-20(29)12-30-11-19/h9-12,15-18,26,34H,5-8,13-14H2,1-4H3,(H,33,39)/t15?,16-,17?,18?,26?/m1/s1
InChIKeyBXVSBWXYNFTGMU-GZXOSAERSA-N
XLogP4.44
TPSA117.51 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500567.09
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one with MolForge

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Related Compounds

3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-hydroxy-2-methylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 137290321
3-[4-(5-chloro-3-pyridinyl)-2-[(2R,4R)-4-hydroxy-2-methylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640340
(3R,5R)-4-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-3,5-dimethyl-N-propan-2-ylpiperazine-1-carboxamide
CID 90684161
3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4R)-4-(2-methoxyethoxy)-2-propan-2-ylpyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684120
3-[4-(5-chloro-3-pyridinyl)-2-[(4R)-4-hydroxy-2-propan-2-ylpyrrolidin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136506775
3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclobutanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684156
3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684064
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(1-methyltriazol-4-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684088
(2S)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N,N-dimethylpyrrolidine-2-carboxamide
CID 90684089
(2S)-1-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-6-(5-oxo-1,2,4-oxadiazolidin-3-yl)imidazo[4,5-c]pyridin-2-yl]-N-ethyl-N-methylpyrrolidine-2-carboxamide
CID 91819714
3-[4-(5-chloro-3-pyridinyl)-2-(1-ethoxy-2-methoxyethyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684184
3-[4-(5-chloro-3-pyridinyl)-2-[1-(3-fluoro-2-pyridinyl)ethyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one
CID 90684205

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one (CID 90684144) is 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is CC1CCC(C(C)n2c(N3CC(=O)N(C)C[C@H]3C)nc3cc(C4NOC(=O)N4)nc(-c4cncc(Cl)c4)c32)CC1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
The InChIKey is BXVSBWXYNFTGMU-GZXOSAERSA-N. The full InChI is InChI=1S/C28H35ClN8O3/c1-15-5-7-18(8-6-15)17(3)37-25-21(32-27(37)36-14-23(38)35(4)13-16(36)2)10-22(26-33-28(39)40-34-26)31-24(25)19-9-20(29)12-30-11-19/h9-12,15-18,26,34H,5-8,13-14H2,1-4H3,(H,33,39)/t15?,16-,17?,18?,26?/m1/s1.
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one has a molecular weight of 567.09 g/mol, XLogP of 4.44, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2,4-dimethyl-5-oxopiperazin-1-yl]-3-[1-(4-methylcyclohexyl)ethyl]imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazolidin-5-one is sourced from PubChem (CID 90684144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).