3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide

C25H21N7O3 — CID 68873444

IUPAC3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide
SMILESNc1nonc1-c1nc2cnc(Oc3cccc(C(=O)NCC4CC4)c3)cc2n1-c1ccccc1
InChIInChI=1S/C25H21N7O3/c26-23-22(30-35-31-23)24-29-19-14-27-21(12-20(19)32(24)17-6-2-1-3-7-17)34-18-8-4-5-16(11-18)25(33)28-13-15-9-10-15/h1-8,11-12,14-15H,9-10,13H2,(H2,26,31)(H,28,33)
InChIKeyRHTWSVUXEZLSQU-UHFFFAOYSA-N
MW467.49 g/mol
LogP3.98
Rot. Bonds7

About 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide

3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide (PubChem CID 68873444) has the molecular formula C25H21N7O3 and a molecular weight of 467.49 g/mol. Its IUPAC name is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide.

Molecular Properties

Compound Name3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide
PubChem CID68873444
Molecular FormulaC25H21N7O3
Molecular Weight467.49 g/mol
Exact Mass467.17
IUPAC Name3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide
SMILESNc1nonc1-c1nc2cnc(Oc3cccc(C(=O)NCC4CC4)c3)cc2n1-c1ccccc1
InChIInChI=1S/C25H21N7O3/c26-23-22(30-35-31-23)24-29-19-14-27-21(12-20(19)32(24)17-6-2-1-3-7-17)34-18-8-4-5-16(11-18)25(33)28-13-15-9-10-15/h1-8,11-12,14-15H,9-10,13H2,(H2,26,31)(H,28,33)
InChIKeyRHTWSVUXEZLSQU-UHFFFAOYSA-N
XLogP3.98
TPSA133.98 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500467.49
LogP ≤ 53.98
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

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-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-[2-(4-hydroxyphenyl)ethyl]benzamide
CID 68872238
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
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-(2-methyl-4-pyridinyl)imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
CID 68872548
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-(3-aminophenoxy)imidazo[4,5-c]pyridin-1-yl]phenol
CID 68873899
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
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
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-[4-(trifluoromethyl)phenyl]imidazo[4,5-c]pyridin-6-yl]oxy-N-(2-morpholin-4-ylethyl)benzamide
CID 69278172
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
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
N-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-6-yl]oxy-2-methylphenyl]acetamide
CID 68871426
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

Frequently Asked Questions

What is the IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide?
The IUPAC name of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide (CID 68873444) is 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide.
What is the SMILES notation for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide?
The canonical SMILES for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide is Nc1nonc1-c1nc2cnc(Oc3cccc(C(=O)NCC4CC4)c3)cc2n1-c1ccccc1.
What is the InChIKey of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide?
The InChIKey is RHTWSVUXEZLSQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21N7O3/c26-23-22(30-35-31-23)24-29-19-14-27-21(12-20(19)32(24)17-6-2-1-3-7-17)34-18-8-4-5-16(11-18)25(33)28-13-15-9-10-15/h1-8,11-12,14-15H,9-10,13H2,(H2,26,31)(H,28,33).
What are the key properties of 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide?
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide has a molecular weight of 467.49 g/mol, XLogP of 3.98, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-phenylimidazo[4,5-c]pyridin-6-yl]oxy-N-(cyclopropylmethyl)benzamide is sourced from PubChem (CID 68873444), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).