1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine

C23H21ClN4 — CID 86269276

IUPAC1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine
SMILESClc1ccc(-n2c(-c3ccncc3)c(C3CCNCC3)c3ccncc32)cc1
InChIInChI=1S/C23H21ClN4/c24-18-1-3-19(4-2-18)28-21-15-27-14-9-20(21)22(16-5-10-25-11-6-16)23(28)17-7-12-26-13-8-17/h1-4,7-9,12-16,25H,5-6,10-11H2
InChIKeyCEKOEQQZORJQPM-UHFFFAOYSA-N
MW388.90 g/mol
LogP5.21
Rot. Bonds3

About 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine

1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine (PubChem CID 86269276) has the molecular formula C23H21ClN4 and a molecular weight of 388.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine.

Molecular Properties

Compound Name1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine
PubChem CID86269276
Molecular FormulaC23H21ClN4
Molecular Weight388.90 g/mol
Exact Mass388.15
IUPAC Name1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine
SMILESClc1ccc(-n2c(-c3ccncc3)c(C3CCNCC3)c3ccncc32)cc1
InChIInChI=1S/C23H21ClN4/c24-18-1-3-19(4-2-18)28-21-15-27-14-9-20(21)22(16-5-10-25-11-6-16)23(28)17-7-12-26-13-8-17/h1-4,7-9,12-16,25H,5-6,10-11H2
InChIKeyCEKOEQQZORJQPM-UHFFFAOYSA-N
XLogP5.21
TPSA42.74 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.90
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine?
The IUPAC name of 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine (CID 86269276) is 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine.
What is the SMILES notation for 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine?
The canonical SMILES for 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine is Clc1ccc(-n2c(-c3ccncc3)c(C3CCNCC3)c3ccncc32)cc1.
What is the InChIKey of 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine?
The InChIKey is CEKOEQQZORJQPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21ClN4/c24-18-1-3-19(4-2-18)28-21-15-27-14-9-20(21)22(16-5-10-25-11-6-16)23(28)17-7-12-26-13-8-17/h1-4,7-9,12-16,25H,5-6,10-11H2.
What are the key properties of 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine?
1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine has a molecular weight of 388.90 g/mol, XLogP of 5.21, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)-3-piperidin-4-yl-2-pyridin-4-ylpyrrolo[2,3-c]pyridine is sourced from PubChem (CID 86269276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).