4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid

C20H25N7O5 — CID 69297556

IUPAC4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCCCNC(=O)O)cc21
InChIInChI=1S/C20H25N7O5/c1-4-27-13-11-14(31-10-6-5-9-22-19(28)29)23-12(7-8-20(2,3)30)15(13)24-18(27)16-17(21)26-32-25-16/h11,22,30H,4-6,9-10H2,1-3H3,(H2,21,26)(H,28,29)
InChIKeyBEQXSCKHOFKHLJ-UHFFFAOYSA-N
MW443.46 g/mol
LogP1.63
Rot. Bonds8

About 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid (PubChem CID 69297556) has the molecular formula C20H25N7O5 and a molecular weight of 443.46 g/mol. Its IUPAC name is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid.

Molecular Properties

Compound Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid
PubChem CID69297556
Molecular FormulaC20H25N7O5
Molecular Weight443.46 g/mol
Exact Mass443.19
IUPAC Name4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid
SMILESCCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCCCNC(=O)O)cc21
InChIInChI=1S/C20H25N7O5/c1-4-27-13-11-14(31-10-6-5-9-22-19(28)29)23-12(7-8-20(2,3)30)15(13)24-18(27)16-17(21)26-32-25-16/h11,22,30H,4-6,9-10H2,1-3H3,(H2,21,26)(H,28,29)
InChIKeyBEQXSCKHOFKHLJ-UHFFFAOYSA-N
XLogP1.63
TPSA174.44 Ų
H-Bond Donors4
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.46
LogP ≤ 51.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[(4-methoxyphenyl)methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69108253
4-[6-(3-amino-3-cyclohexylpropoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69108335
4-[6-[(2R)-2-amino-3-(4-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69108118
4-[6-[(2R)-2-amino-3-(3-fluorophenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69107952
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]phenol
CID 135501851
3-[6-(2-aminoethoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]prop-2-yn-1-ol
CID 11959149
4-[7-(4-aminobutoxy)-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol;bis(2,2,2-trifluoroacetic acid)
CID 25108028
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(3S)-1,2,3,4,7,8-hexahydroisoquinolin-3-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69300427
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-6-[(1S)-2-amino-1-phenylethoxy]-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-1-yl]butanenitrile
CID 123308912
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-6-[[(2S)-morpholin-2-yl]-phenylmethoxy]imidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69298743
4-[6-[3-(aminomethyl)phenyl]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 11959469
4-[6-[3-amino-1-(2-fluoro-3-methoxyphenyl)propoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]-2-methylbut-3-yn-2-ol
CID 69107661

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid?
The IUPAC name of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid (CID 69297556) is 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid.
What is the SMILES notation for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid?
The canonical SMILES for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid is CCn1c(-c2nonc2N)nc2c(C#CC(C)(C)O)nc(OCCCCNC(=O)O)cc21.
What is the InChIKey of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid?
The InChIKey is BEQXSCKHOFKHLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H25N7O5/c1-4-27-13-11-14(31-10-6-5-9-22-19(28)29)23-12(7-8-20(2,3)30)15(13)24-18(27)16-17(21)26-32-25-16/h11,22,30H,4-6,9-10H2,1-3H3,(H2,21,26)(H,28,29).
What are the key properties of 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid?
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid has a molecular weight of 443.46 g/mol, XLogP of 1.63, 8 rotatable bonds, 4 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-6-yl]oxybutylcarbamic acid is sourced from PubChem (CID 69297556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).