3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

C31H38N6O4 — CID 136640384

IUPAC3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(OCC4CCC4)c32)CC1
InChIInChI=1S/C31H38N6O4/c1-20-10-12-21(13-11-20)17-37-27-24(33-30(37)36-14-15-39-19-26(36)23-8-3-2-4-9-23)16-25(28-34-31(38)41-35-28)32-29(27)40-18-22-6-5-7-22/h2-4,8-9,16,20-22,26H,5-7,10-15,17-19H2,1H3,(H,34,35,38)/t20?,21?,26-/m0/s1
InChIKeyLMQKCHNSCFGQFF-NSOLWDIASA-N
MW558.68 g/mol
LogP5.36
Rot. Bonds8

About 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one

3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (PubChem CID 136640384) has the molecular formula C31H38N6O4 and a molecular weight of 558.68 g/mol. Its IUPAC name is 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.

Molecular Properties

Compound Name3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
PubChem CID136640384
Molecular FormulaC31H38N6O4
Molecular Weight558.68 g/mol
Exact Mass558.30
IUPAC Name3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
SMILESCC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(OCC4CCC4)c32)CC1
InChIInChI=1S/C31H38N6O4/c1-20-10-12-21(13-11-20)17-37-27-24(33-30(37)36-14-15-39-19-26(36)23-8-3-2-4-9-23)16-25(28-34-31(38)41-35-28)32-29(27)40-18-22-6-5-7-22/h2-4,8-9,16,20-22,26H,5-7,10-15,17-19H2,1H3,(H,34,35,38)/t20?,21?,26-/m0/s1
InChIKeyLMQKCHNSCFGQFF-NSOLWDIASA-N
XLogP5.36
TPSA111.30 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500558.68
LogP ≤ 55.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one with MolForge

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Launch Full Analysis

Related Compounds

3-[3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]-4-pyrimidin-5-ylimidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640352
3-[7-[(4-methylcyclohexyl)methyl]-6-(oxan-4-yl)-8-[(3R)-3-phenylmorpholin-4-yl]purin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 136632400
3-[6-(2,6-dichloro-4-pyridinyl)-7-[(4-methylcyclohexyl)methyl]-8-(3-phenylmorpholin-4-yl)purin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 136632506
4-[6-chloro-4-(1-cyclobutylethoxy)-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine
CID 123319704
3-[6-(3-ethylphenyl)-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-phenylmorpholin-4-yl]purin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 136632445
4-[4,6-dichloro-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-2-yl]-3-phenylmorpholine
CID 123411495
3-[6-(3-chloro-2-fluorophenyl)-7-[(4-methylcyclohexyl)methyl]-8-(3-phenylmorpholin-4-yl)purin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 137133821
3-[4-(3-chlorophenyl)-2-[(2R,6R)-2,6-dimethylpiperidin-1-yl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136930164
3-[7-[(4-ethenylcyclohexyl)methyl]-8-[(3R)-3-phenylmorpholin-4-yl]-6-[[(2R)-1,1,1-trifluoropropan-2-yl]amino]purin-2-yl]-4H-1,2,4-oxadiazol-5-one
CID 137283773
3-[2-[(4aS,7aS)-3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl]-4-[2-[2-[tert-butyl(dimethyl)silyl]oxyethoxy]-5-chloro-3-pyridinyl]-3-[(4-methylcyclohexyl)methyl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one
CID 136640251
5-[6-(5-chloro-2-methoxy-3-pyridinyl)-7-[(4-methylcyclohexyl)methyl]-8-[(3R)-3-phenylmorpholin-4-yl]purin-2-yl]-3H-1,3,4-oxadiazol-2-one
CID 90319691
5-[6-[(5-chloro-2-pyridinyl)oxy]-7-[(4-methylcyclohexyl)methyl]-8-(3-phenylmorpholin-4-yl)purin-2-yl]-3H-1,3,4-oxadiazol-2-one
CID 90320167

Frequently Asked Questions

What is the IUPAC name of 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The IUPAC name of 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one (CID 136640384) is 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one.
What is the SMILES notation for 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The canonical SMILES for 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is CC1CCC(Cn2c(N3CCOC[C@H]3c3ccccc3)nc3cc(-c4noc(=O)[nH]4)nc(OCC4CCC4)c32)CC1.
What is the InChIKey of 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
The InChIKey is LMQKCHNSCFGQFF-NSOLWDIASA-N. The full InChI is InChI=1S/C31H38N6O4/c1-20-10-12-21(13-11-20)17-37-27-24(33-30(37)36-14-15-39-19-26(36)23-8-3-2-4-9-23)16-25(28-34-31(38)41-35-28)32-29(27)40-18-22-6-5-7-22/h2-4,8-9,16,20-22,26H,5-7,10-15,17-19H2,1H3,(H,34,35,38)/t20?,21?,26-/m0/s1.
What are the key properties of 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one?
3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one has a molecular weight of 558.68 g/mol, XLogP of 5.36, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(cyclobutylmethoxy)-3-[(4-methylcyclohexyl)methyl]-2-[(3R)-3-phenylmorpholin-4-yl]imidazo[4,5-c]pyridin-6-yl]-4H-1,2,4-oxadiazol-5-one is sourced from PubChem (CID 136640384), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).