1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide

C23H22N6O4 — CID 53489769

IUPAC1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c(OC)c1
InChIInChI=1S/C23H22N6O4/c1-31-17-7-5-15(19(9-17)32-2)10-25-22(30)18-12-29(13-26-18)20-8-6-16(11-24-20)23-27-21(28-33-23)14-3-4-14/h5-9,11-14H,3-4,10H2,1-2H3,(H,25,30)
InChIKeyRGUONOXQHPVIBE-UHFFFAOYSA-N
MW446.47 g/mol
LogP3.14
Rot. Bonds8

About 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide (PubChem CID 53489769) has the molecular formula C23H22N6O4 and a molecular weight of 446.47 g/mol. Its IUPAC name is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide
PubChem CID53489769
Molecular FormulaC23H22N6O4
Molecular Weight446.47 g/mol
Exact Mass446.17
IUPAC Name1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide
SMILESCOc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c(OC)c1
InChIInChI=1S/C23H22N6O4/c1-31-17-7-5-15(19(9-17)32-2)10-25-22(30)18-12-29(13-26-18)20-8-6-16(11-24-20)23-27-21(28-33-23)14-3-4-14/h5-9,11-14H,3-4,10H2,1-2H3,(H,25,30)
InChIKeyRGUONOXQHPVIBE-UHFFFAOYSA-N
XLogP3.14
TPSA117.19 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500446.47
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2-methylphenyl)methyl]imidazole-4-carboxamide
CID 53178850
N-[(3-chloro-4-fluorophenyl)methyl]-1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489777
N-[(4-methoxyphenyl)methyl]-1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53489805
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(1R)-1-(4-fluorophenyl)ethyl]imidazole-4-carboxamide
CID 95560076
N-[(2,5-dimethoxyphenyl)methyl]-1-[4-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490001
N-[(2,4-dimethoxyphenyl)methyl]-1-[3-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53490034
N-benzyl-1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178816
N-[(3-methoxyphenyl)methyl]-1-[4-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxamide
CID 53178623
1-[5-(3-methyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(2-phenylethyl)imidazole-4-carboxamide
CID 53178803
5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-1-[2-(2,5-dimethoxyphenyl)-2-oxoethyl]pyridin-2-one
CID 71794421
methyl 1-[5-(3-ethyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]imidazole-4-carboxylate
CID 97032631
1-[5-(3-propan-2-yl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 53178904

Frequently Asked Questions

What is the IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide?
The IUPAC name of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide (CID 53489769) is 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide?
The canonical SMILES for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide is COc1ccc(CNC(=O)c2cn(-c3ccc(-c4nc(C5CC5)no4)cn3)cn2)c(OC)c1.
What is the InChIKey of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide?
The InChIKey is RGUONOXQHPVIBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N6O4/c1-31-17-7-5-15(19(9-17)32-2)10-25-22(30)18-12-29(13-26-18)20-8-6-16(11-24-20)23-27-21(28-33-23)14-3-4-14/h5-9,11-14H,3-4,10H2,1-2H3,(H,25,30).
What are the key properties of 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide?
1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide has a molecular weight of 446.47 g/mol, XLogP of 3.14, 8 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[5-(3-cyclopropyl-1,2,4-oxadiazol-5-yl)-2-pyridinyl]-N-[(2,4-dimethoxyphenyl)methyl]imidazole-4-carboxamide is sourced from PubChem (CID 53489769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).