(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

C22H24N4O2 — CID 176501949

IUPAC(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2Cc1ccccc1)N1[C@@H]2CC[C@H]1CC(CO)C2
InChIInChI=1S/C22H24N4O2/c27-13-16-8-18-6-7-19(9-16)26(18)22(28)17-10-20-21(23-11-17)25(14-24-20)12-15-4-2-1-3-5-15/h1-5,10-11,14,16,18-19,27H,6-9,12-13H2/t16?,18-,19+
InChIKeyDMAFUSMAFKZAGV-JLYLLQBASA-N
MW376.46 g/mol
LogP2.86
Rot. Bonds4

About (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone

(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (PubChem CID 176501949) has the molecular formula C22H24N4O2 and a molecular weight of 376.46 g/mol. Its IUPAC name is (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.

Molecular Properties

Compound Name(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
PubChem CID176501949
Molecular FormulaC22H24N4O2
Molecular Weight376.46 g/mol
Exact Mass376.19
IUPAC Name(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone
SMILESO=C(c1cnc2c(c1)ncn2Cc1ccccc1)N1[C@@H]2CC[C@H]1CC(CO)C2
InChIInChI=1S/C22H24N4O2/c27-13-16-8-18-6-7-19(9-16)26(18)22(28)17-10-20-21(23-11-17)25(14-24-20)12-15-4-2-1-3-5-15/h1-5,10-11,14,16,18-19,27H,6-9,12-13H2/t16?,18-,19+
InChIKeyDMAFUSMAFKZAGV-JLYLLQBASA-N
XLogP2.86
TPSA71.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.46
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone 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-benzyl-N-(3-hydroxycyclobutyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176506320
3-benzyl-N-[2-[3-(hydroxymethyl)piperidin-1-yl]ethyl]imidazo[4,5-b]pyridine-6-carboxamide
CID 176504166
N-[(1R,3R)-3-(hydroxymethyl)cyclohexyl]-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176500416
N-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)pyrrolidin-3-yl]acetamide
CID 176505536
4-[1-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)piperidin-4-yl]-1H-pyridin-2-one
CID 176506848
[(3aR,4R,5S,6aR)-4,5-bis(hydroxymethyl)-3,3a,4,5,6,6a-hexahydro-1H-cyclopenta[c]pyrrol-2-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176505777
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-[2-(pyrrolidin-1-ylmethyl)piperidin-1-yl]methanone
CID 176505498
2-(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)-6-oxa-2,9-diazaspiro[4.5]decan-8-one
CID 176500676
methyl 2-[4-[(3-benzylimidazo[4,5-b]pyridine-6-carbonyl)amino]phenoxy]acetate
CID 175641787
N-(azepan-4-yl)-3-(2-phenylethyl)imidazo[4,5-b]pyridine-6-carboxamide
CID 176505475
[3-(pyridin-3-ylmethyl)imidazo[4,5-b]pyridin-6-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone
CID 175641326
[4-(4-methyl-1,2,4-triazol-3-yl)piperidin-1-yl]-[3-(2-phenylethyl)imidazo[4,5-b]pyridin-6-yl]methanone
CID 176504399

Frequently Asked Questions

What is the IUPAC name of (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The IUPAC name of (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone (CID 176501949) is (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone.
What is the SMILES notation for (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The canonical SMILES for (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is O=C(c1cnc2c(c1)ncn2Cc1ccccc1)N1[C@@H]2CC[C@H]1CC(CO)C2.
What is the InChIKey of (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
The InChIKey is DMAFUSMAFKZAGV-JLYLLQBASA-N. The full InChI is InChI=1S/C22H24N4O2/c27-13-16-8-18-6-7-19(9-16)26(18)22(28)17-10-20-21(23-11-17)25(14-24-20)12-15-4-2-1-3-5-15/h1-5,10-11,14,16,18-19,27H,6-9,12-13H2/t16?,18-,19+.
What are the key properties of (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone?
(3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone has a molecular weight of 376.46 g/mol, XLogP of 2.86, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3-benzylimidazo[4,5-b]pyridin-6-yl)-[(1R,5S)-3-(hydroxymethyl)-8-azabicyclo[3.2.1]octan-8-yl]methanone is sourced from PubChem (CID 176501949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).