2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol

C21H31N7O3 — CID 70972275

IUPAC2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OCCCN3CCCCC3)c21
InChIInChI=1S/C21H31N7O3/c1-4-28-17-14(30-12-8-11-27-9-6-5-7-10-27)13-23-18(21(2,3)29)15(17)24-20(28)16-19(22)26-31-25-16/h13,29H,4-12H2,1-3H3,(H2,22,26)
InChIKeyLQWALKBGIGGXFI-UHFFFAOYSA-N
MW429.53 g/mol
LogP2.57
Rot. Bonds8

About 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol

2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol (PubChem CID 70972275) has the molecular formula C21H31N7O3 and a molecular weight of 429.53 g/mol. Its IUPAC name is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol.

Molecular Properties

Compound Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol
PubChem CID70972275
Molecular FormulaC21H31N7O3
Molecular Weight429.53 g/mol
Exact Mass429.25
IUPAC Name2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol
SMILESCCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OCCCN3CCCCC3)c21
InChIInChI=1S/C21H31N7O3/c1-4-28-17-14(30-12-8-11-27-9-6-5-7-10-27)13-23-18(21(2,3)29)15(17)24-20(28)16-19(22)26-31-25-16/h13,29H,4-12H2,1-3H3,(H2,22,26)
InChIKeyLQWALKBGIGGXFI-UHFFFAOYSA-N
XLogP2.57
TPSA128.35 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.53
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

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

Analyze 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol with MolForge

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Related Compounds

2-[7-[(2S)-3-amino-2-methylpropoxy]-2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethylimidazo[4,5-c]pyridin-4-yl]propan-2-ol
CID 70972271
3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxypropyl-tert-butylcarbamic acid
CID 71651163
2-[2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-(3-hydroxy-3-methylbut-1-ynyl)imidazo[4,5-c]pyridin-7-yl]oxyethyl-(2-sulfoethyl)amino]ethanesulfonic acid
CID 177022304
4-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]but-3-yn-2-ol;2,2,2-trifluoroacetic acid
CID 69299686
(2S)-2-[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-4-phenylimidazo[4,5-c]pyridin-7-yl]oxypropylamino]-4-methylpentan-1-ol
CID 68899462
2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]-2-tert-butylmorpholine-4-carboxylic acid
CID 87534666
4-[1-propan-2-yl-7-(2-pyrrolidin-1-ylethoxy)benzimidazol-2-yl]-1,2,5-oxadiazol-3-amine
CID 91800658
[3-[2-(4-amino-1,2,5-oxadiazol-3-yl)-7-(3-aminopropoxy)-1-ethylimidazo[4,5-c]pyridin-4-yl]-N-(cyclohexylcarbamoyl)anilino] 2,2,2-trifluoroacetate
CID 87771206
tert-butyl N-[2-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-4-chloro-1-ethylimidazo[4,5-c]pyridin-7-yl]oxymethyl]pentyl]-N-[(2-methylpropan-2-yl)oxycarbonyl]carbamate
CID 87763332
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
3-[[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-[[(2S)-thiomorpholin-2-yl]methoxy]imidazo[4,5-c]pyridin-4-yl]methyl]pent-1-yn-3-ol
CID 87730643
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 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol?
The IUPAC name of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol (CID 70972275) is 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol.
What is the SMILES notation for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol?
The canonical SMILES for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol is CCn1c(-c2nonc2N)nc2c(C(C)(C)O)ncc(OCCCN3CCCCC3)c21.
What is the InChIKey of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol?
The InChIKey is LQWALKBGIGGXFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H31N7O3/c1-4-28-17-14(30-12-8-11-27-9-6-5-7-10-27)13-23-18(21(2,3)29)15(17)24-20(28)16-19(22)26-31-25-16/h13,29H,4-12H2,1-3H3,(H2,22,26).
What are the key properties of 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol?
2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol has a molecular weight of 429.53 g/mol, XLogP of 2.57, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(4-amino-1,2,5-oxadiazol-3-yl)-1-ethyl-7-(3-piperidin-1-ylpropoxy)imidazo[4,5-c]pyridin-4-yl]propan-2-ol is sourced from PubChem (CID 70972275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).