4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol

C18H20N4O — CID 117165404

IUPAC4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3cccnc3n2C2CCNCC2)cc1
InChIInChI=1S/C18H20N4O/c23-15-5-3-13(4-6-15)12-17-21-16-2-1-9-20-18(16)22(17)14-7-10-19-11-8-14/h1-6,9,14,19,23H,7-8,10-12H2
InChIKeyZTSPMHFYFPACLF-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.65
Rot. Bonds3

About 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol

4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol (PubChem CID 117165404) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
PubChem CID117165404
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESOc1ccc(Cc2nc3cccnc3n2C2CCNCC2)cc1
InChIInChI=1S/C18H20N4O/c23-15-5-3-13(4-6-15)12-17-21-16-2-1-9-20-18(16)22(17)14-7-10-19-11-8-14/h1-6,9,14,19,23H,7-8,10-12H2
InChIKeyZTSPMHFYFPACLF-UHFFFAOYSA-N
XLogP2.65
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117164918
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
2-[(1-methylpyrrolidin-2-yl)methyl]-3-piperidin-4-ylimidazo[4,5-b]pyridine
CID 117163216
2-[(3-piperidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165211
2-[(4-methylphenyl)methyl]-3-pyrrolidin-2-ylimidazo[4,5-b]pyridine
CID 117165419
2-[(4-methylphenyl)methyl]-3-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117165386
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
(3-cyclohexylimidazo[4,5-b]pyridin-2-yl)methanamine
CID 82474489
ethyl 2-(3-cyclopropylimidazo[4,5-b]pyridin-2-yl)acetate
CID 79474872
3-(1-methylpiperidin-3-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161554
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437

Frequently Asked Questions

What is the IUPAC name of 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The IUPAC name of 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol (CID 117165404) is 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The canonical SMILES for 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol is Oc1ccc(Cc2nc3cccnc3n2C2CCNCC2)cc1.
What is the InChIKey of 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The InChIKey is ZTSPMHFYFPACLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c23-15-5-3-13(4-6-15)12-17-21-16-2-1-9-20-18(16)22(17)14-7-10-19-11-8-14/h1-6,9,14,19,23H,7-8,10-12H2.
What are the key properties of 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 2.65, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 117165404), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).