3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol

C18H20N4O — CID 117160406

IUPAC3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
SMILESCN1CCC(c2nc3cccnc3n2Cc2cccc(O)c2)C1
InChIInChI=1S/C18H20N4O/c1-21-9-7-14(12-21)17-20-16-6-3-8-19-18(16)22(17)11-13-4-2-5-15(23)10-13/h2-6,8,10,14,23H,7,9,11-12H2,1H3
InChIKeyRDSOKEQBMNCSGW-UHFFFAOYSA-N
MW308.38 g/mol
LogP2.60
Rot. Bonds3

About 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol

3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol (PubChem CID 117160406) has the molecular formula C18H20N4O and a molecular weight of 308.38 g/mol. Its IUPAC name is 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
PubChem CID117160406
Molecular FormulaC18H20N4O
Molecular Weight308.38 g/mol
Exact Mass308.16
IUPAC Name3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
SMILESCN1CCC(c2nc3cccnc3n2Cc2cccc(O)c2)C1
InChIInChI=1S/C18H20N4O/c1-21-9-7-14(12-21)17-20-16-6-3-8-19-18(16)22(17)11-13-4-2-5-15(23)10-13/h2-6,8,10,14,23H,7,9,11-12H2,1H3
InChIKeyRDSOKEQBMNCSGW-UHFFFAOYSA-N
XLogP2.60
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.38
LogP ≤ 52.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-methoxypropyl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160046
2-(1-methylpyrrolidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117160142
3-(furan-2-ylmethyl)-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162140
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
CID 117160437
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-(1-methylpyrrolidin-2-yl)-2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridine
CID 117160229
3-methyl-2-(1-methylpiperidin-3-yl)imidazo[4,5-b]pyridine
CID 117162037
2-(1-methylpiperidin-3-yl)-3-(oxolan-3-ylmethyl)imidazo[4,5-b]pyridine
CID 117161818
3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160405
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
1-[(3S)-3-(3-ethylimidazo[4,5-b]pyridin-2-yl)pyrrolidin-1-yl]-2-(3-methylphenyl)ethanone
CID 95110117
3-[(1-methylpyrrolidin-3-yl)methyl]-2-(thian-3-yl)imidazo[4,5-b]pyridine
CID 117161816

Frequently Asked Questions

What is the IUPAC name of 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The IUPAC name of 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol (CID 117160406) is 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The canonical SMILES for 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol is CN1CCC(c2nc3cccnc3n2Cc2cccc(O)c2)C1.
What is the InChIKey of 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
The InChIKey is RDSOKEQBMNCSGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O/c1-21-9-7-14(12-21)17-20-16-6-3-8-19-18(16)22(17)11-13-4-2-5-15(23)10-13/h2-6,8,10,14,23H,7,9,11-12H2,1H3.
What are the key properties of 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol?
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol has a molecular weight of 308.38 g/mol, XLogP of 2.60, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol is sourced from PubChem (CID 117160406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).