(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

C23H21N5O4 — CID 74507740

IUPAC(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C(=O)N2Cc3[nH]cnc3CC2c2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C23H21N5O4/c1-30-16-7-3-14(4-8-16)21-26-22(32-27-21)20-11-18-19(25-13-24-18)12-28(20)23(29)15-5-9-17(31-2)10-6-15/h3-10,13,20H,11-12H2,1-2H3,(H,24,25)
InChIKeyHRSWNDRIHGGYIS-UHFFFAOYSA-N
MW431.45 g/mol
LogP3.42
Rot. Bonds5

About (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone

(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone (PubChem CID 74507740) has the molecular formula C23H21N5O4 and a molecular weight of 431.45 g/mol. Its IUPAC name is (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.

Molecular Properties

Compound Name(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
PubChem CID74507740
Molecular FormulaC23H21N5O4
Molecular Weight431.45 g/mol
Exact Mass431.16
IUPAC Name(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
SMILESCOc1ccc(C(=O)N2Cc3[nH]cnc3CC2c2nc(-c3ccc(OC)cc3)no2)cc1
InChIInChI=1S/C23H21N5O4/c1-30-16-7-3-14(4-8-16)21-26-22(32-27-21)20-11-18-19(25-13-24-18)12-28(20)23(29)15-5-9-17(31-2)10-6-15/h3-10,13,20H,11-12H2,1-2H3,(H,24,25)
InChIKeyHRSWNDRIHGGYIS-UHFFFAOYSA-N
XLogP3.42
TPSA106.37 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.45
LogP ≤ 53.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone with MolForge

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Related Compounds

[(6S)-6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 26745126
[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(4-phenylphenyl)methanone
CID 74507745
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
2-[2-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-oxoethyl]sulfanylacetic acid
CID 74507752
2-(4-methoxyphenyl)-1-[(6S)-6-(3-naphthalen-2-yl-1,2,4-oxadiazol-5-yl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]ethanone
CID 26745101
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
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
methyl 5-(4-methoxybenzoyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine-6-carboxylate
CID 74508493
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
(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
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
5-[(6S)-6-[3-(4-chlorophenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3,3-dimethyl-5-oxopentanoic acid
CID 26745059

Frequently Asked Questions

What is the IUPAC name of (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The IUPAC name of (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) is (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone.
What is the SMILES notation for (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The canonical SMILES for (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is COc1ccc(C(=O)N2Cc3[nH]cnc3CC2c2nc(-c3ccc(OC)cc3)no2)cc1.
What is the InChIKey of (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
The InChIKey is HRSWNDRIHGGYIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5O4/c1-30-16-7-3-14(4-8-16)21-26-22(32-27-21)20-11-18-19(25-13-24-18)12-28(20)23(29)15-5-9-17(31-2)10-6-15/h3-10,13,20H,11-12H2,1-2H3,(H,24,25).
What are the key properties of (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone?
(4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone has a molecular weight of 431.45 g/mol, XLogP of 3.42, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methoxyphenyl)-[6-[3-(4-methoxyphenyl)-1,2,4-oxadiazol-5-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone is sourced from PubChem (CID 74507740), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).