1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol

C13H18N4O — CID 103386168

IUPAC1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2nccc3c2ncn3C)C1
InChIInChI=1S/C13H18N4O/c1-3-5-13(18)7-17(8-13)12-11-10(4-6-14-12)16(2)9-15-11/h4,6,9,18H,3,5,7-8H2,1-2H3
InChIKeyAMOBZQOMTPPPAA-UHFFFAOYSA-N
MW246.31 g/mol
LogP1.32
Rot. Bonds3

About 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol

1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol (PubChem CID 103386168) has the molecular formula C13H18N4O and a molecular weight of 246.31 g/mol. Its IUPAC name is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol.

Molecular Properties

Compound Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol
PubChem CID103386168
Molecular FormulaC13H18N4O
Molecular Weight246.31 g/mol
Exact Mass246.15
IUPAC Name1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol
SMILESCCCC1(O)CN(c2nccc3c2ncn3C)C1
InChIInChI=1S/C13H18N4O/c1-3-5-13(18)7-17(8-13)12-11-10(4-6-14-12)16(2)9-15-11/h4,6,9,18H,3,5,7-8H2,1-2H3
InChIKeyAMOBZQOMTPPPAA-UHFFFAOYSA-N
XLogP1.32
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.31
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-methyl-4-(4-methylpiperazin-1-yl)imidazo[4,5-c]pyridine;hydrochloride
CID 6602907
1-(1-methylimidazo[4,5-c]pyridin-4-yl)azetidine-3-carboxylic acid
CID 103385086
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 103386060
3-[4-(1-methylimidazo[4,5-c]pyridin-4-yl)piperazin-1-yl]propanoic acid
CID 103385024
4-[4-(chloromethyl)piperidin-1-yl]-1-methylimidazo[4,5-c]pyridine
CID 103386393
N-[[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]methyl]propan-1-amine
CID 103386341
2-[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-4-yl]acetic acid
CID 103385128
1-[[(1-methylimidazo[4,5-c]pyridin-4-yl)amino]methyl]cyclopentan-1-ol
CID 103385664
1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-4-carbaldehyde
CID 103386359
2-[1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidin-3-yl]ethanol
CID 103386158
1-(5-bromopyrimidin-4-yl)-3-propylazetidin-3-ol
CID 66319738
2-methyl-1-(1-methylimidazo[4,5-c]pyridin-4-yl)piperidine-2-carboxylic acid
CID 103385168

Frequently Asked Questions

What is the IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol?
The IUPAC name of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol (CID 103386168) is 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol.
What is the SMILES notation for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol?
The canonical SMILES for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol is CCCC1(O)CN(c2nccc3c2ncn3C)C1.
What is the InChIKey of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol?
The InChIKey is AMOBZQOMTPPPAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4O/c1-3-5-13(18)7-17(8-13)12-11-10(4-6-14-12)16(2)9-15-11/h4,6,9,18H,3,5,7-8H2,1-2H3.
What are the key properties of 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol?
1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol has a molecular weight of 246.31 g/mol, XLogP of 1.32, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methylimidazo[4,5-c]pyridin-4-yl)-3-propylazetidin-3-ol is sourced from PubChem (CID 103386168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).