3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol

C15H24N4O2 — CID 143198160

IUPAC3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol
SMILESCCC(O)(CCO)Cn1c(C)nc2c(N)nc(C)c(C)c21
InChIInChI=1S/C15H24N4O2/c1-5-15(21,6-7-20)8-19-11(4)18-12-13(19)9(2)10(3)17-14(12)16/h20-21H,5-8H2,1-4H3,(H2,16,17)
InChIKeyVYPWLPRNZQSPQV-UHFFFAOYSA-N
MW292.38 g/mol
LogP1.46
Rot. Bonds5

About 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol

3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol (PubChem CID 143198160) has the molecular formula C15H24N4O2 and a molecular weight of 292.38 g/mol. Its IUPAC name is 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol.

Molecular Properties

Compound Name3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol
PubChem CID143198160
Molecular FormulaC15H24N4O2
Molecular Weight292.38 g/mol
Exact Mass292.19
IUPAC Name3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol
SMILESCCC(O)(CCO)Cn1c(C)nc2c(N)nc(C)c(C)c21
InChIInChI=1S/C15H24N4O2/c1-5-15(21,6-7-20)8-19-11(4)18-12-13(19)9(2)10(3)17-14(12)16/h20-21H,5-8H2,1-4H3,(H2,16,17)
InChIKeyVYPWLPRNZQSPQV-UHFFFAOYSA-N
XLogP1.46
TPSA97.19 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 51.46
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol?
The IUPAC name of 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol (CID 143198160) is 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol.
What is the SMILES notation for 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol?
The canonical SMILES for 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol is CCC(O)(CCO)Cn1c(C)nc2c(N)nc(C)c(C)c21.
What is the InChIKey of 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol?
The InChIKey is VYPWLPRNZQSPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4O2/c1-5-15(21,6-7-20)8-19-11(4)18-12-13(19)9(2)10(3)17-14(12)16/h20-21H,5-8H2,1-4H3,(H2,16,17).
What are the key properties of 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol?
3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol has a molecular weight of 292.38 g/mol, XLogP of 1.46, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-amino-2,6,7-trimethylimidazo[4,5-c]pyridin-1-yl)methyl]pentane-1,3-diol is sourced from PubChem (CID 143198160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).