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

C17H18N4O — CID 117164918

IUPAC3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESOc1cccc(Cc2nc3cccnc3n2C2CCNC2)c1
InChIInChI=1S/C17H18N4O/c22-14-4-1-3-12(9-14)10-16-20-15-5-2-7-19-17(15)21(16)13-6-8-18-11-13/h1-5,7,9,13,18,22H,6,8,10-11H2
InChIKeyYDXRCWOLOPINBX-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.26
Rot. Bonds3

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

3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol (PubChem CID 117164918) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol.

Molecular Properties

Compound Name3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
PubChem CID117164918
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
SMILESOc1cccc(Cc2nc3cccnc3n2C2CCNC2)c1
InChIInChI=1S/C17H18N4O/c22-14-4-1-3-12(9-14)10-16-20-15-5-2-7-19-17(15)21(16)13-6-8-18-11-13/h1-5,7,9,13,18,22H,6,8,10-11H2
InChIKeyYDXRCWOLOPINBX-UHFFFAOYSA-N
XLogP2.26
TPSA62.97 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.36
LogP ≤ 52.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(3-piperidin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165404
2-[(3-piperidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165211
3-cyclobutyl-2-[(3-methoxyphenyl)methyl]imidazo[4,5-b]pyridine
CID 117165132
3-[(3-pyridin-4-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol
CID 117165156
2-[(1-ethylpiperidin-2-yl)methyl]-3-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117163622
3-[[3-(3-methylphenyl)imidazo[4,5-b]pyridin-2-yl]methyl]phenol
CID 117165093
2-[(3-methylphenyl)methyl]-3-(thiolan-2-yl)imidazo[4,5-b]pyridine
CID 117164957
2-[(1-methylpiperidin-4-yl)methyl]-3-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161555
2-(furan-2-yl)-3-[(3S)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032980
3-(oxan-4-yl)-2-(piperidin-4-ylmethyl)imidazo[4,5-b]pyridine
CID 117161522
2-(furan-2-yl)-3-[(3R)-pyrrolidin-3-yl]imidazo[4,5-b]pyridine
CID 97032979
3-cyclopropyl-2-[[4-(trifluoromethyl)phenyl]methyl]imidazo[4,5-b]pyridine
CID 117165535

Frequently Asked Questions

What is the IUPAC name of 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The IUPAC name of 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol (CID 117164918) is 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol.
What is the SMILES notation for 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The canonical SMILES for 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol is Oc1cccc(Cc2nc3cccnc3n2C2CCNC2)c1.
What is the InChIKey of 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
The InChIKey is YDXRCWOLOPINBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-14-4-1-3-12(9-14)10-16-20-15-5-2-7-19-17(15)21(16)13-6-8-18-11-13/h1-5,7,9,13,18,22H,6,8,10-11H2.
What are the key properties of 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol?
3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol has a molecular weight of 294.36 g/mol, XLogP of 2.26, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-pyrrolidin-3-ylimidazo[4,5-b]pyridin-2-yl)methyl]phenol is sourced from PubChem (CID 117164918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).