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

C23H27N5O2 — CID 175644434

IUPAC[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2-c1ccccc1)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C23H27N5O2/c29-20-7-4-10-27(15-20)18-8-11-26(12-9-18)23(30)17-13-21-22(24-14-17)28(16-25-21)19-5-2-1-3-6-19/h1-3,5-6,13-14,16,18,20,29H,4,7-12,15H2
InChIKeyMSIIACFKPDLKAR-UHFFFAOYSA-N
MW405.50 g/mol
LogP2.48
Rot. Bonds3

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

[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (PubChem CID 175644434) has the molecular formula C23H27N5O2 and a molecular weight of 405.50 g/mol. Its IUPAC name is [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.

Molecular Properties

Compound Name[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
PubChem CID175644434
Molecular FormulaC23H27N5O2
Molecular Weight405.50 g/mol
Exact Mass405.22
IUPAC Name[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
SMILESO=C(c1cnc2c(c1)ncn2-c1ccccc1)N1CCC(N2CCCC(O)C2)CC1
InChIInChI=1S/C23H27N5O2/c29-20-7-4-10-27(15-20)18-8-11-26(12-9-18)23(30)17-13-21-22(24-14-17)28(16-25-21)19-5-2-1-3-6-19/h1-3,5-6,13-14,16,18,20,29H,4,7-12,15H2
InChIKeyMSIIACFKPDLKAR-UHFFFAOYSA-N
XLogP2.48
TPSA74.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500405.50
LogP ≤ 52.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[4-(3-hydroxyazetidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone
CID 176502306
[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
1-[3-[4-[(3R)-3-hydroxypiperidin-1-yl]piperidine-1-carbonyl]phenyl]ethanone
CID 95714528
(3-methylimidazo[4,5-b]pyridin-6-yl)-(3-phenylpyrrolidin-1-yl)methanone
CID 154860646
[4-(3,4-dihydro-1H-isoquinolin-2-yl)piperidin-1-yl]-(3-methylimidazo[4,5-b]pyridin-6-yl)methanone
CID 56911536
3-(4-hydroxyphenyl)imidazo[4,5-b]pyridine-6-carboxylic acid
CID 59815650
[4-[(3R)-3-hydroxypiperidin-1-yl]piperidin-1-yl]-[3-(1H-imidazol-2-yl)phenyl]methanone
CID 95717875
N-[3-(4-methylpiperidin-1-yl)-3-oxopropyl]-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176500276
(4-chloro-3-fluorophenyl)-[4-[(3S)-3-hydroxypiperidin-1-yl]piperidin-1-yl]methanone
CID 95713393
N-(azepan-4-yl)-3-phenylimidazo[4,5-b]pyridine-6-carboxamide
CID 176506033

Frequently Asked Questions

What is the IUPAC name of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The IUPAC name of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone (CID 175644434) is [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone.
What is the SMILES notation for [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The canonical SMILES for [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is O=C(c1cnc2c(c1)ncn2-c1ccccc1)N1CCC(N2CCCC(O)C2)CC1.
What is the InChIKey of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
The InChIKey is MSIIACFKPDLKAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N5O2/c29-20-7-4-10-27(15-20)18-8-11-26(12-9-18)23(30)17-13-21-22(24-14-17)28(16-25-21)19-5-2-1-3-6-19/h1-3,5-6,13-14,16,18,20,29H,4,7-12,15H2.
What are the key properties of [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone?
[4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone has a molecular weight of 405.50 g/mol, XLogP of 2.48, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(3-hydroxypiperidin-1-yl)piperidin-1-yl]-(3-phenylimidazo[4,5-b]pyridin-6-yl)methanone is sourced from PubChem (CID 175644434), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).