N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline

C24H26N6O — CID 26744798

IUPACN,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C24H26N6O/c1-16-4-8-18(9-5-16)23-27-24(31-28-23)22-12-20-21(26-15-25-20)14-30(22)13-17-6-10-19(11-7-17)29(2)3/h4-11,15,22H,12-14H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyJIHXLAPOOAUOOW-QFIPXVFZSA-N
MW414.51 g/mol
LogP4.13
Rot. Bonds5

About N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline

N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline (PubChem CID 26744798) has the molecular formula C24H26N6O and a molecular weight of 414.51 g/mol. Its IUPAC name is N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline.

Molecular Properties

Compound NameN,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline
PubChem CID26744798
Molecular FormulaC24H26N6O
Molecular Weight414.51 g/mol
Exact Mass414.22
IUPAC NameN,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline
SMILESCc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(N(C)C)cc3)n2)cc1
InChIInChI=1S/C24H26N6O/c1-16-4-8-18(9-5-16)23-27-24(31-28-23)22-12-20-21(26-15-25-20)14-30(22)13-17-6-10-19(11-7-17)29(2)3/h4-11,15,22H,12-14H2,1-3H3,(H,25,26)/t22-/m0/s1
InChIKeyJIHXLAPOOAUOOW-QFIPXVFZSA-N
XLogP4.13
TPSA74.08 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.51
LogP ≤ 54.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_D(198)', 'substructure': 'N/A'}, {'alert_name': 'anil_di_alk_E(186)', 'substructure': 'N/A'}

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Related Compounds

3-(3-methylphenyl)-5-[(6S)-4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 28961069
(6S)-N-(3-fluorophenyl)-6-[3-(3-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 28961077
(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-N-(4-methylphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-5-carboxamide
CID 25338823
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-phenyl-1,2,4-oxadiazole
CID 26744762
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-[4-(trifluoromethyl)phenyl]-1,2,4-oxadiazole
CID 26744774
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(4-methylphenyl)-1,2,4-oxadiazole
CID 26744800
3-(4-chlorophenyl)-5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-1,2,4-oxadiazole
CID 26744844
5-[(6S)-5-(cyclohexylmethyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-naphthalen-2-yl-1,2,4-oxadiazole
CID 26744896
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-propan-2-yl-1,2,4-oxadiazole
CID 26744962
5-[(6S)-5-[(4-fluorophenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-6-yl]-3-(3-nitrophenyl)-1,2,4-oxadiazole
CID 26744984
(S)-5-(4,5,6,7-tetrahydro-3H-imidazo[4,5-c]pyridin-6-yl)-3-p-tolyl-1,2,4-oxadiazole
CID 26745018
(4-fluorophenyl)-[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 26745022

Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline?
The IUPAC name of N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline (CID 26744798) is N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline.
What is the SMILES notation for N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline?
The canonical SMILES for N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline is Cc1ccc(-c2noc([C@@H]3Cc4nc[nH]c4CN3Cc3ccc(N(C)C)cc3)n2)cc1.
What is the InChIKey of N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline?
The InChIKey is JIHXLAPOOAUOOW-QFIPXVFZSA-N. The full InChI is InChI=1S/C24H26N6O/c1-16-4-8-18(9-5-16)23-27-24(31-28-23)22-12-20-21(26-15-25-20)14-30(22)13-17-6-10-19(11-7-17)29(2)3/h4-11,15,22H,12-14H2,1-3H3,(H,25,26)/t22-/m0/s1.
What are the key properties of N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline?
N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline has a molecular weight of 414.51 g/mol, XLogP of 4.13, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-4-[[(6S)-6-[3-(4-methylphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]aniline is sourced from PubChem (CID 26744798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).