3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol

C11H16N4O2 — CID 79815419

IUPAC3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol
SMILESCCOc1ccc2[nH]c(C(N)CCO)nc2n1
InChIInChI=1S/C11H16N4O2/c1-2-17-9-4-3-8-11(14-9)15-10(13-8)7(12)5-6-16/h3-4,7,16H,2,5-6,12H2,1H3,(H,13,14,15)
InChIKeyPBGXHGGNNLRSLV-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.74
Rot. Bonds5

About 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol

3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol (PubChem CID 79815419) has the molecular formula C11H16N4O2 and a molecular weight of 236.27 g/mol. Its IUPAC name is 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol.

Molecular Properties

Compound Name3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol
PubChem CID79815419
Molecular FormulaC11H16N4O2
Molecular Weight236.27 g/mol
Exact Mass236.13
IUPAC Name3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol
SMILESCCOc1ccc2[nH]c(C(N)CCO)nc2n1
InChIInChI=1S/C11H16N4O2/c1-2-17-9-4-3-8-11(14-9)15-10(13-8)7(12)5-6-16/h3-4,7,16H,2,5-6,12H2,1H3,(H,13,14,15)
InChIKeyPBGXHGGNNLRSLV-UHFFFAOYSA-N
XLogP0.74
TPSA97.05 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol?
The IUPAC name of 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol (CID 79815419) is 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol.
What is the SMILES notation for 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol?
The canonical SMILES for 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol is CCOc1ccc2[nH]c(C(N)CCO)nc2n1.
What is the InChIKey of 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol?
The InChIKey is PBGXHGGNNLRSLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O2/c1-2-17-9-4-3-8-11(14-9)15-10(13-8)7(12)5-6-16/h3-4,7,16H,2,5-6,12H2,1H3,(H,13,14,15).
What are the key properties of 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol?
3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol has a molecular weight of 236.27 g/mol, XLogP of 0.74, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-3-(5-ethoxy-1H-imidazo[4,5-b]pyridin-2-yl)propan-1-ol is sourced from PubChem (CID 79815419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).