4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine

C24H22ClN3O — CID 151043023

IUPAC4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine
SMILESClc1nccc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCNC1
InChIInChI=1S/C24H22ClN3O/c25-24-23-21(16-28(22(23)12-14-27-24)18-5-4-13-26-15-18)17-8-10-20(11-9-17)29-19-6-2-1-3-7-19/h1-3,6-12,14,16,18,26H,4-5,13,15H2
InChIKeyMCMJRBYIQZMJIO-UHFFFAOYSA-N
MW403.91 g/mol
LogP6.07
Rot. Bonds4

About 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine

4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine (PubChem CID 151043023) has the molecular formula C24H22ClN3O and a molecular weight of 403.91 g/mol. Its IUPAC name is 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine.

Molecular Properties

Compound Name4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine
PubChem CID151043023
Molecular FormulaC24H22ClN3O
Molecular Weight403.91 g/mol
Exact Mass403.15
IUPAC Name4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine
SMILESClc1nccc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCNC1
InChIInChI=1S/C24H22ClN3O/c25-24-23-21(16-28(22(23)12-14-27-24)18-5-4-13-26-15-18)17-8-10-20(11-9-17)29-19-6-2-1-3-7-19/h1-3,6-12,14,16,18,26H,4-5,13,15H2
InChIKeyMCMJRBYIQZMJIO-UHFFFAOYSA-N
XLogP6.07
TPSA39.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.91
LogP ≤ 56.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

5-[4-(3-fluorophenoxy)phenyl]-7-[(3R)-piperidin-3-yl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 174761007
1-[3-(but-1-ynylamino)cyclohexyl]-3-(4-phenoxyphenyl)pyrrolo[3,2-c]pyridin-4-amine
CID 151810411
6-methyl-5-(4-phenoxyphenyl)-7-pyrrolidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 90150400
7-cyclohexyl-5-(4-phenoxyphenyl)pyrrolo[2,3-d]pyrimidin-4-amine;ethane;1-methylpiperazine
CID 156857412
7-iodo-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrazolo[4,5-c]pyridin-4-amine
CID 142749831
tert-butyl 3-methylsulfonyloxypiperidine-1-carboxylate;5-(4-phenoxyphenyl)-7-piperidin-3-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 160916178
2-N-(4-phenoxyphenyl)-9-piperidin-3-ylpurine-2,6-diamine
CID 123712291
7-(4-oxocyclohexyl)-5-(4-phenoxyphenyl)-3H-pyrrolo[2,3-d]pyrimidin-4-one
CID 156857378
7-naphthalen-2-yl-3-[(3R)-piperidin-3-yl]imidazo[4,5-b]pyridine
CID 57462542
7-(4-phenoxyphenyl)-1-pyrrolidin-3-ylpyrazolo[5,4-c]pyridine
CID 172718042
tert-butyl formate;5-(4-phenoxyphenyl)-7-piperidin-4-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 174760975
4-phenyl-2-piperidin-3-yl-1H-pyrazol-5-one;hydrochloride
CID 67461858

Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine?
The IUPAC name of 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine (CID 151043023) is 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine.
What is the SMILES notation for 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine?
The canonical SMILES for 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine is Clc1nccc2c1c(-c1ccc(Oc3ccccc3)cc1)cn2C1CCCNC1.
What is the InChIKey of 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine?
The InChIKey is MCMJRBYIQZMJIO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN3O/c25-24-23-21(16-28(22(23)12-14-27-24)18-5-4-13-26-15-18)17-8-10-20(11-9-17)29-19-6-2-1-3-7-19/h1-3,6-12,14,16,18,26H,4-5,13,15H2.
What are the key properties of 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine?
4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine has a molecular weight of 403.91 g/mol, XLogP of 6.07, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(4-phenoxyphenyl)-1-piperidin-3-ylpyrrolo[3,2-c]pyridine is sourced from PubChem (CID 151043023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).