[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

C24H24ClN3O3 — CID 139350996

IUPAC[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1
InChIInChI=1S/C24H24ClN3O3/c1-15(29)23-12-16(4-7-27-23)18-10-19(14-26-13-18)21-3-2-17(11-22(21)25)24(31)28-8-5-20(30)6-9-28/h2-4,7,10-15,20,29-30H,5-6,8-9H2,1H3
InChIKeyQGAASHFLHHYWHD-UHFFFAOYSA-N
MW437.93 g/mol
LogP4.11
Rot. Bonds4

About [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone

[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (PubChem CID 139350996) has the molecular formula C24H24ClN3O3 and a molecular weight of 437.93 g/mol. Its IUPAC name is [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.

Molecular Properties

Compound Name[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
PubChem CID139350996
Molecular FormulaC24H24ClN3O3
Molecular Weight437.93 g/mol
Exact Mass437.15
IUPAC Name[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone
SMILESCC(O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1
InChIInChI=1S/C24H24ClN3O3/c1-15(29)23-12-16(4-7-27-23)18-10-19(14-26-13-18)21-3-2-17(11-22(21)25)24(31)28-8-5-20(30)6-9-28/h2-4,7,10-15,20,29-30H,5-6,8-9H2,1H3
InChIKeyQGAASHFLHHYWHD-UHFFFAOYSA-N
XLogP4.11
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.93
LogP ≤ 54.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-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

Frequently Asked Questions

What is the IUPAC name of [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The IUPAC name of [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone (CID 139350996) is [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone.
What is the SMILES notation for [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The canonical SMILES for [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is CC(O)c1cc(-c2cncc(-c3ccc(C(=O)N4CCC(O)CC4)cc3Cl)c2)ccn1.
What is the InChIKey of [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
The InChIKey is QGAASHFLHHYWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN3O3/c1-15(29)23-12-16(4-7-27-23)18-10-19(14-26-13-18)21-3-2-17(11-22(21)25)24(31)28-8-5-20(30)6-9-28/h2-4,7,10-15,20,29-30H,5-6,8-9H2,1H3.
What are the key properties of [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone?
[3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone has a molecular weight of 437.93 g/mol, XLogP of 4.11, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-chloro-4-[5-[2-(1-hydroxyethyl)-4-pyridinyl]-3-pyridinyl]phenyl]-(4-hydroxypiperidin-1-yl)methanone is sourced from PubChem (CID 139350996), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).