5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

C22H27N5O — CID 26744796

IUPAC5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3CC3CCCCC3)n2)cc1
InChIInChI=1S/C22H27N5O/c1-15-7-9-17(10-8-15)21-25-22(28-26-21)20-11-18-19(24-14-23-18)13-27(20)12-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyXIUATWQWTULLRV-FQEVSTJZSA-N
MW377.49 g/mol
LogP4.45
Rot. Bonds4

About 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole

5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (PubChem CID 26744796) has the molecular formula C22H27N5O and a molecular weight of 377.49 g/mol. Its IUPAC name is 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.

Molecular Properties

Compound Name5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
PubChem CID26744796
Molecular FormulaC22H27N5O
Molecular Weight377.49 g/mol
Exact Mass377.22
IUPAC Name5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3CC3CCCCC3)n2)cc1
InChIInChI=1S/C22H27N5O/c1-15-7-9-17(10-8-15)21-25-22(28-26-21)20-11-18-19(24-14-23-18)13-27(20)12-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,24)/t20-/m0/s1
InChIKeyXIUATWQWTULLRV-FQEVSTJZSA-N
XLogP4.45
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.49
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole with MolForge

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Related Compounds

5-[(6S)-5-[(4-chlorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methoxyphenyl)-1,2,4-oxadiazole
CID 26744932
2-[2-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethoxy]acetic acid
CID 38344332
3-(4-methoxyphenyl)-5-[(6S)-5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744942
cyclohexyl-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507741
5-(5-benzyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl)-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 74507576
N-cyclohexyl-6-(3-phenyl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74508510
3-pyridin-4-yl-5-[5-(thiophen-2-ylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 74507574
N-(4-methylphenyl)-6-(3-pyridin-4-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 74507714
(6S)-N-cyclohexyl-6-[3-[4-(trifluoromethoxy)phenyl]-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 26745045
(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 74507740
3-(3-methylphenyl)-5-[(6S)-5-[[3-(trifluoromethoxy)phenyl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744868
4-[[6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]benzoic acid
CID 74507577

Frequently Asked Questions

What is the IUPAC name of 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The IUPAC name of 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole (CID 26744796) is 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole.
What is the SMILES notation for 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The canonical SMILES for 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3CC3CCCCC3)n2)cc1.
What is the InChIKey of 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
The InChIKey is XIUATWQWTULLRV-FQEVSTJZSA-N. The full InChI is InChI=1S/C22H27N5O/c1-15-7-9-17(10-8-15)21-25-22(28-26-21)20-11-18-19(24-14-23-18)13-27(20)12-16-5-3-2-4-6-16/h7-10,14,16,20H,2-6,11-13H2,1H3,(H,23,24)/t20-/m0/s1.
What are the key properties of 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole?
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole has a molecular weight of 377.49 g/mol, XLogP of 4.45, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole is sourced from PubChem (CID 26744796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).