N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide

C29H30N8O4 — CID 44529204

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)cc21
InChIInChI=1S/C29H30N8O4/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-41-34-26)40-22-7-5-6-20(16-22)32-29(38)19-8-10-21(11-9-19)39-15-14-36-12-3-4-13-36/h5-11,16-18H,2-4,12-15H2,1H3,(H2,30,35)(H,32,38)
InChIKeyZKKMAMWSHPRKNH-UHFFFAOYSA-N
MW554.61 g/mol
LogP4.60
Rot. Bonds10

About N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (PubChem CID 44529204) has the molecular formula C29H30N8O4 and a molecular weight of 554.61 g/mol. Its IUPAC name is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
PubChem CID44529204
Molecular FormulaC29H30N8O4
Molecular Weight554.61 g/mol
Exact Mass554.24
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)cc21
InChIInChI=1S/C29H30N8O4/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-41-34-26)40-22-7-5-6-20(16-22)32-29(38)19-8-10-21(11-9-19)39-15-14-36-12-3-4-13-36/h5-11,16-18H,2-4,12-15H2,1H3,(H2,30,35)(H,32,38)
InChIKeyZKKMAMWSHPRKNH-UHFFFAOYSA-N
XLogP4.60
TPSA146.45 Ų
H-Bond Donors2
H-Bond Acceptors11
Rotatable Bonds10
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500554.61
LogP ≤ 54.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1011

Analyze N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide with MolForge

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Related Compounds

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
CID 68873043
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1,1-dihydroxy-1,4-thiazinan-4-yl)ethyl]benzamide
CID 68872118
4-[1-ethyl-6-[3-(3-morpholin-4-ylpropoxy)phenoxy]imidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 68872168
1-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-morpholin-4-ylbutan-1-one
CID 68870307
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-N-[4-[2-(dimethylamino)ethyl]phenyl]benzamide
CID 68871403
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-[2-(dimethylamino)ethoxy]phenyl]imidazo[4,5-c]pyridin-6-yl]oxyphenyl]-6-methylpyridine-3-carboxamide
CID 68873579
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(2-methoxyethyl)benzamide
CID 11454226
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-piperidin-4-ylimidazo[4,5-c]pyridin-6-yl]oxy-N-[3-(2-oxopyrrolidin-1-yl)propyl]benzamide
CID 68871988
2,4-dimethyl-N-[3-(2-piperidin-1-ylethoxy)phenyl]-1,3-oxazole-5-carboxamide
CID 75375647
4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11462778
4-(2-pyrrolidin-1-ylethoxy)benzohydrazide
CID 63570602
ethyl 2-[3-[(4-propoxybenzoyl)amino]phenoxy]pyridine-3-carboxylate
CID 44764821

Frequently Asked Questions

What is the IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The IUPAC name of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide (CID 44529204) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide.
What is the SMILES notation for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OCCN5CCCC5)cc4)c3)cc21.
What is the InChIKey of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
The InChIKey is ZKKMAMWSHPRKNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30N8O4/c1-2-37-24-17-25(31-18-23(24)33-28(37)26-27(30)35-41-34-26)40-22-7-5-6-20(16-22)32-29(38)19-8-10-21(11-9-19)39-15-14-36-12-3-4-13-36/h5-11,16-18H,2-4,12-15H2,1H3,(H2,30,35)(H,32,38).
What are the key properties of N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide has a molecular weight of 554.61 g/mol, XLogP of 4.60, 10 rotatable bonds, 2 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-4-(2-pyrrolidin-1-ylethoxy)benzamide is sourced from PubChem (CID 44529204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).