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

C17H18N4O — CID 117160437

IUPAC4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(Cn2c(C3CCNC3)nc3cccnc32)cc1
InChIInChI=1S/C17H18N4O/c22-14-5-3-12(4-6-14)11-21-16(13-7-9-18-10-13)20-15-2-1-8-19-17(15)21/h1-6,8,13,18,22H,7,9-11H2
InChIKeyLCDGWCBWNGJZGP-UHFFFAOYSA-N
MW294.36 g/mol
LogP2.26
Rot. Bonds3

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

4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol (PubChem CID 117160437) has the molecular formula C17H18N4O and a molecular weight of 294.36 g/mol. Its IUPAC name is 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol.

Molecular Properties

Compound Name4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
PubChem CID117160437
Molecular FormulaC17H18N4O
Molecular Weight294.36 g/mol
Exact Mass294.15
IUPAC Name4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol
SMILESOc1ccc(Cn2c(C3CCNC3)nc3cccnc32)cc1
InChIInChI=1S/C17H18N4O/c22-14-5-3-12(4-6-14)11-21-16(13-7-9-18-10-13)20-15-2-1-8-19-17(15)21/h1-6,8,13,18,22H,7,9-11H2
InChIKeyLCDGWCBWNGJZGP-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

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

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

3-[(3-methoxyphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160405
2-pyrrolidin-3-yl-3-(thiophen-2-ylmethyl)imidazo[4,5-b]pyridine
CID 117160618
3-[(2-methylphenyl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160416
4-[[2-(thiolan-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160431
3-[(3-fluorophenyl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161994
4-[[2-(oxan-2-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117162997
4-[2-(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)ethyl]morpholine
CID 117160602
3-[(1-propan-2-ylpyrrolidin-2-yl)methyl]-2-pyrrolidin-3-ylimidazo[4,5-b]pyridine
CID 117160291
4-[[2-(pyrrolidin-2-ylmethyl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117163423
3-[(1-methylpyrrolidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161921
3-[[2-(1-methylpyrrolidin-3-yl)imidazo[4,5-b]pyridin-3-yl]methyl]phenol
CID 117160406
3-[(1-methylpiperidin-2-yl)methyl]-2-piperidin-3-ylimidazo[4,5-b]pyridine
CID 117161937

Frequently Asked Questions

What is the IUPAC name of 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol?
The IUPAC name of 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol (CID 117160437) is 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol.
What is the SMILES notation for 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol?
The canonical SMILES for 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol is Oc1ccc(Cn2c(C3CCNC3)nc3cccnc32)cc1.
What is the InChIKey of 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol?
The InChIKey is LCDGWCBWNGJZGP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18N4O/c22-14-5-3-12(4-6-14)11-21-16(13-7-9-18-10-13)20-15-2-1-8-19-17(15)21/h1-6,8,13,18,22H,7,9-11H2.
What are the key properties of 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol?
4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-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 4-[(2-pyrrolidin-3-ylimidazo[4,5-b]pyridin-3-yl)methyl]phenol is sourced from PubChem (CID 117160437), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).