7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile

C12H11N3O2 — CID 175691983

IUPAC7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2cc(OCC3(O)CC3)ccn12
InChIInChI=1S/C12H11N3O2/c13-6-9-7-14-11-5-10(1-4-15(9)11)17-8-12(16)2-3-12/h1,4-5,7,16H,2-3,8H2
InChIKeyVJCQQSLDBVXLIW-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.11
Rot. Bonds3

About 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile

7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (PubChem CID 175691983) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile.

Molecular Properties

Compound Name7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
PubChem CID175691983
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile
SMILESN#Cc1cnc2cc(OCC3(O)CC3)ccn12
InChIInChI=1S/C12H11N3O2/c13-6-9-7-14-11-5-10(1-4-15(9)11)17-8-12(16)2-3-12/h1,4-5,7,16H,2-3,8H2
InChIKeyVJCQQSLDBVXLIW-UHFFFAOYSA-N
XLogP1.11
TPSA70.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

7-(trifluoromethyl)imidazo[1,2-a]pyridine-3-carbonitrile
CID 119009669
3-methyl-7-[(3-methylazetidin-3-yl)methoxy]imidazo[1,2-a]pyridine
CID 146275162
7-[(1-hydroxycyclopropyl)methoxy]-5-[6-[3-[(6-methoxy-3-pyridinyl)oxy]azetidin-1-yl]-3-pyridinyl]imidazo[1,2-a]pyridine-3-carbonitrile
CID 158015467
3-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213745
4-[(1-hydroxycyclohexyl)methoxy]benzonitrile
CID 65213795
2-fluoro-4-[(4-hydroxypiperidin-4-yl)methoxy]benzonitrile
CID 114016295
1-[7-(2-methoxyethoxy)imidazo[1,2-a]pyridin-3-yl]ethanone
CID 165143384
N-[(1-hydroxycyclobutyl)methyl]-8-methyl-4-oxopyrido[1,2-a]pyrimidine-3-carboxamide
CID 111445372
7-[2-(4-methylpiperazin-1-yl)ethoxy]imidazo[1,2-a]pyridine-3-carboxamide
CID 67252366
ethyl 7-[3-(4-fluoro-4-methylpiperidin-1-yl)propoxy]imidazo[1,2-a]pyridine-3-carboxylate
CID 178051681
6-ethynylimidazo[1,2-a]pyridine-3-carbonitrile
CID 155787607
1-(naphthalen-2-yloxymethyl)cyclohexan-1-ol
CID 65213943

Frequently Asked Questions

What is the IUPAC name of 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The IUPAC name of 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile (CID 175691983) is 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile.
What is the SMILES notation for 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The canonical SMILES for 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is N#Cc1cnc2cc(OCC3(O)CC3)ccn12.
What is the InChIKey of 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
The InChIKey is VJCQQSLDBVXLIW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c13-6-9-7-14-11-5-10(1-4-15(9)11)17-8-12(16)2-3-12/h1,4-5,7,16H,2-3,8H2.
What are the key properties of 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile?
7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile has a molecular weight of 229.24 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[(1-hydroxycyclopropyl)methoxy]imidazo[1,2-a]pyridine-3-carbonitrile is sourced from PubChem (CID 175691983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).