[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone

C21H23N5O2 — CID 176502306

IUPAC[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2-c1ccccc1)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C21H23N5O2/c27-18-12-25(13-18)16-6-8-24(9-7-16)21(28)15-10-19-20(22-11-15)26(14-23-19)17-4-2-1-3-5-17/h1-5,10-11,14,16,18,27H,6-9,12-13H2
InChIKeyHMWHMJYGJQQLGB-UHFFFAOYSA-N
MW377.45 g/mol
LogP1.70
Rot. Bonds3

About [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone

[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 176502306) has the molecular formula C21H23N5O2 and a molecular weight of 377.45 g/mol. Its IUPAC name is [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID176502306
Molecular FormulaC21H23N5O2
Molecular Weight377.45 g/mol
Exact Mass377.19
IUPAC Name[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2-c1ccccc1)N1CCC(N2CC(O)C2)CC1
InChIInChI=1S/C21H23N5O2/c27-18-12-25(13-18)16-6-8-24(9-7-16)21(28)15-10-19-20(22-11-15)26(14-23-19)17-4-2-1-3-5-17/h1-5,10-11,14,16,18,27H,6-9,12-13H2
InChIKeyHMWHMJYGJQQLGB-UHFFFAOYSA-N
XLogP1.70
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.45
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 175644434
[4-[hydroxy-(1-methylimidazol-2-yl)methyl]piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176505977
(3-phenylimidazo[4,5-b]pyridin-6-yl)-[2-(trifluoromethyl)morpholin-4-yl]methanone
CID 176504802
[3-[3-(difluoromethoxy)phenyl]imidazo[4,5-b]pyridin-6-yl]-(4-fluoropiperidin-1-yl)methanone
CID 164780332
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500276
[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
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506033
(3-cyclopropylimidazo[4,5-b]pyridin-6-yl)-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]methanone
CID 175642980
(3-cyclopentylimidazo[4,5-b]pyridin-6-yl)-(4-hydroxy-4-phenylpiperidin-1-yl)methanone
CID 176503873

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (CID 176502306) is [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is O=C(c1cnc2c(c1)ncn2-c1ccccc1)N1CCC(N2CC(O)C2)CC1.
What is the InChIKey of [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is HMWHMJYGJQQLGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2/c27-18-12-25(13-18)16-6-8-24(9-7-16)21(28)15-10-19-20(22-11-15)26(14-23-19)17-4-2-1-3-5-17/h1-5,10-11,14,16,18,27H,6-9,12-13H2.
What are the key properties of [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 377.45 g/mol, XLogP of 1.70, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 176502306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).