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

C24H20FN7O4 — CID 68873043

IUPACN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OC)c(F)c4)c3)cc21
InChIInChI=1S/C24H20FN7O4/c1-3-32-18-11-20(27-12-17(18)29-23(32)21-22(26)31-36-30-21)35-15-6-4-5-14(10-15)28-24(33)13-7-8-19(34-2)16(25)9-13/h4-12H,3H2,1-2H3,(H2,26,31)(H,28,33)
InChIKeyGPSIKRDPDFDAET-UHFFFAOYSA-N
MW489.47 g/mol
LogP4.28
Rot. Bonds7

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

N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide (PubChem CID 68873043) has the molecular formula C24H20FN7O4 and a molecular weight of 489.47 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]-3-fluoro-4-methoxybenzamide.

Molecular Properties

Compound NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
PubChem CID68873043
Molecular FormulaC24H20FN7O4
Molecular Weight489.47 g/mol
Exact Mass489.16
IUPAC NameN-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide
SMILESCCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OC)c(F)c4)c3)cc21
InChIInChI=1S/C24H20FN7O4/c1-3-32-18-11-20(27-12-17(18)29-23(32)21-22(26)31-36-30-21)35-15-6-4-5-14(10-15)28-24(33)13-7-8-19(34-2)16(25)9-13/h4-12H,3H2,1-2H3,(H2,26,31)(H,28,33)
InChIKeyGPSIKRDPDFDAET-UHFFFAOYSA-N
XLogP4.28
TPSA143.21 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.47
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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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]-4-(2-pyrrolidin-1-ylethoxy)benzamide
CID 44529204
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
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
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
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
4-[1-ethyl-6-(3-methoxyphenyl)sulfanylimidazo[4,5-c]pyridin-2-yl]-1,2,5-oxadiazol-3-amine
CID 11462778
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
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
4-ethoxy-3-fluoro-N-(3-methoxyphenyl)benzamide
CID 110762258
ethyl 3-[(3-fluoro-4-methoxybenzoyl)amino]benzoate
CID 9228357
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide
CID 68873444
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(1-methylpyrrol-2-yl)ethyl]benzamide
CID 68872441

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]-3-fluoro-4-methoxybenzamide?
The IUPAC name of 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) is N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide.
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]-3-fluoro-4-methoxybenzamide?
The canonical SMILES for N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide is CCn1c(-c2nonc2N)nc2cnc(Oc3cccc(NC(=O)c4ccc(OC)c(F)c4)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]-3-fluoro-4-methoxybenzamide?
The InChIKey is GPSIKRDPDFDAET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20FN7O4/c1-3-32-18-11-20(27-12-17(18)29-23(32)21-22(26)31-36-30-21)35-15-6-4-5-14(10-15)28-24(33)13-7-8-19(34-2)16(25)9-13/h4-12H,3H2,1-2H3,(H2,26,31)(H,28,33).
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]-3-fluoro-4-methoxybenzamide?
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxyphenyl]-3-fluoro-4-methoxybenzamide has a molecular weight of 489.47 g/mol, XLogP of 4.28, 7 rotatable bonds, 2 hydrogen bond donors, and 10 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]-3-fluoro-4-methoxybenzamide is sourced from PubChem (CID 68873043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).