3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C28H31ClF3N7O3 — CID 137082076

IUPAC3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCCCC1CN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C28H31ClF3N7O3/c1-2-3-20-15-38(8-9-41-20)26-35-21-11-22(25-36-27(40)42-37-25)34-23(17-10-19(29)13-33-12-17)24(21)39(26)14-16-4-6-18(7-5-16)28(30,31)32/h10-13,16,18,20H,2-9,14-15H2,1H3,(H,36,37,40)
InChIKeyKUNKMQLNTZBOEI-UHFFFAOYSA-N
MW606.05 g/mol
LogP5.86
Rot. Bonds7

About 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 137082076) has the molecular formula C28H31ClF3N7O3 and a molecular weight of 606.05 g/mol. Its IUPAC name is 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID137082076
Molecular FormulaC28H31ClF3N7O3
Molecular Weight606.05 g/mol
Exact Mass605.21
IUPAC Name3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCCCC1CN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C(F)(F)F)CC2)CCO1
InChIInChI=1S/C28H31ClF3N7O3/c1-2-3-20-15-38(8-9-41-20)26-35-21-11-22(25-36-27(40)42-37-25)34-23(17-10-19(29)13-33-12-17)24(21)39(26)14-16-4-6-18(7-5-16)28(30,31)32/h10-13,16,18,20H,2-9,14-15H2,1H3,(H,36,37,40)
InChIKeyKUNKMQLNTZBOEI-UHFFFAOYSA-N
XLogP5.86
TPSA114.96 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500606.05
LogP ≤ 55.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[4-(5-chloro-3-pyridinyl)-2-[(2R)-2-propylmorpholin-4-yl]-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 144652449
3-[4-(5-chloro-3-pyridinyl)-2-[2-(2,2-difluoropropyl)-3-methylmorpholin-4-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 137099329
3-[4-(5-chloro-3-pyridinyl)-2-(2,3-dimethylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136930161
3-[4-(5-chloro-3-pyridinyl)-2-(5-methoxy-2-methylpiperidin-1-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 137068374
3-[4-(5-chloro-3-pyridinyl)-2-[(2S,4S)-4-methoxy-2-methylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640264
3-[4-(5-chloro-3-pyridinyl)-2-[(2S)-2-(methoxymethyl)pyrrolidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136634440
3-[4-(5-chloro-3-pyridinyl)-2-(1-propan-2-yloxypropan-2-yl)-3-[(4-propylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 137031407
3-[4-(5-chloro-3-pyridinyl)-2-(2-fluoro-1-methoxypropan-2-yl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640294
3-[2-[(2S)-2,5-bis(methoxymethyl)pyrrolidin-1-yl]-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 144652401
3-[4-(5-chloro-3-pyridinyl)-2-[(2R,6R)-4-(cyclopropanecarbonyl)-2,6-dimethylpiperazin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one;methane
CID 160649165
3-[2-(6-benzyl-3,4a,5,7,8,8a-hexahydro-2H-pyrido[3,4-b][1,4]oxazin-1-yl)-4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 137153969
3-[4-(5-chloro-3-pyridinyl)-3-[(4-methylcyclohexyl)methyl]-2-[2-(3-methyl-1,2-oxazol-5-yl)pyrrolidin-1-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640370

Frequently Asked Questions

What is the IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 137082076) is 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CCCC1CN(c2nc3cc(-c4noc(=O)[nH]4)nc(-c4cncc(Cl)c4)c3n2CC2CCC(C(F)(F)F)CC2)CCO1.
What is the InChIKey of 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is KUNKMQLNTZBOEI-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31ClF3N7O3/c1-2-3-20-15-38(8-9-41-20)26-35-21-11-22(25-36-27(40)42-37-25)34-23(17-10-19(29)13-33-12-17)24(21)39(26)14-16-4-6-18(7-5-16)28(30,31)32/h10-13,16,18,20H,2-9,14-15H2,1H3,(H,36,37,40).
What are the key properties of 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 606.05 g/mol, XLogP of 5.86, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(5-chloro-3-pyridinyl)-2-(2-propylmorpholin-4-yl)-3-[[4-(trifluoromethyl)cyclohexyl]methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 137082076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).