7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one

C30H27ClN4O2 — CID 69158959

IUPAC7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one
SMILESO=C1c2c(Cl)cccc2CN1c1cccc(-c2cnccc2OCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C30H27ClN4O2/c31-27-6-2-4-23-19-35(30(36)29(23)27)25-5-1-3-22(17-25)26-18-33-14-9-28(26)37-20-21-10-15-34(16-11-21)24-7-12-32-13-8-24/h1-9,12-14,17-18,21H,10-11,15-16,19-20H2
InChIKeyQBZXDTWXQAWCLM-UHFFFAOYSA-N
MW511.03 g/mol
LogP6.25
Rot. Bonds6

About 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one

7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one (PubChem CID 69158959) has the molecular formula C30H27ClN4O2 and a molecular weight of 511.03 g/mol. Its IUPAC name is 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one.

Molecular Properties

Compound Name7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one
PubChem CID69158959
Molecular FormulaC30H27ClN4O2
Molecular Weight511.03 g/mol
Exact Mass510.18
IUPAC Name7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one
SMILESO=C1c2c(Cl)cccc2CN1c1cccc(-c2cnccc2OCC2CCN(c3ccncc3)CC2)c1
InChIInChI=1S/C30H27ClN4O2/c31-27-6-2-4-23-19-35(30(36)29(23)27)25-5-1-3-22(17-25)26-18-33-14-9-28(26)37-20-21-10-15-34(16-11-21)24-7-12-32-13-8-24/h1-9,12-14,17-18,21H,10-11,15-16,19-20H2
InChIKeyQBZXDTWXQAWCLM-UHFFFAOYSA-N
XLogP6.25
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500511.03
LogP ≤ 56.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one 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

5-chloro-2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-3-fluoropyridine
CID 154829675
3-chloro-4-[4-[(3-methyl-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine
CID 155800170
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-1,2-benzothiazole 1,1-dioxide
CID 163356784
2-chloro-6-fluoro-N-[(1-pyridin-4-ylpiperidin-4-yl)methyl]benzamide
CID 86263563
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-propan-2-ylacetamide
CID 163357321
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-cyclopropylpyrimidine
CID 154829517
2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-N-methylacetamide
CID 163357267
3-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]pyridine-4-carbonitrile
CID 154829519
2-chloro-N-[3-[[2-(1-pyridin-4-ylpiperidin-4-yl)acetyl]amino]phenyl]benzamide
CID 11998404
4-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-6-ethylpyrimidine
CID 154829545
3-[2-[4-[(3-chloro-4-pyridinyl)oxymethyl]piperidin-1-yl]-2-oxoethyl]-6-methylpyrimidin-4-one
CID 154831232
2-(1-pyridin-4-ylpiperidin-4-yl)acetyl chloride;hydrochloride
CID 22721805

Frequently Asked Questions

What is the IUPAC name of 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one?
The IUPAC name of 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one (CID 69158959) is 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one.
What is the SMILES notation for 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one?
The canonical SMILES for 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one is O=C1c2c(Cl)cccc2CN1c1cccc(-c2cnccc2OCC2CCN(c3ccncc3)CC2)c1.
What is the InChIKey of 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one?
The InChIKey is QBZXDTWXQAWCLM-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H27ClN4O2/c31-27-6-2-4-23-19-35(30(36)29(23)27)25-5-1-3-22(17-25)26-18-33-14-9-28(26)37-20-21-10-15-34(16-11-21)24-7-12-32-13-8-24/h1-9,12-14,17-18,21H,10-11,15-16,19-20H2.
What are the key properties of 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one?
7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one has a molecular weight of 511.03 g/mol, XLogP of 6.25, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-chloro-2-[3-[4-[(1-pyridin-4-ylpiperidin-4-yl)methoxy]-3-pyridinyl]phenyl]-3H-isoindol-1-one is sourced from PubChem (CID 69158959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).