3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine

C25H26N4 — CID 70125549

IUPAC3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)cc1
InChIInChI=1S/C25H26N4/c1-3-8-20(9-4-1)21-16-22(18-26-17-21)23-19-29(24-10-7-11-27-25(23)24)15-14-28-12-5-2-6-13-28/h1,3-4,7-11,16-19H,2,5-6,12-15H2
InChIKeyCGVKITKNISYOQL-UHFFFAOYSA-N
MW382.51 g/mol
LogP5.25
Rot. Bonds5

About 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine

3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine (PubChem CID 70125549) has the molecular formula C25H26N4 and a molecular weight of 382.51 g/mol. Its IUPAC name is 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
PubChem CID70125549
Molecular FormulaC25H26N4
Molecular Weight382.51 g/mol
Exact Mass382.22
IUPAC Name3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)cc1
InChIInChI=1S/C25H26N4/c1-3-8-20(9-4-1)21-16-22(18-26-17-21)23-19-29(24-10-7-11-27-25(23)24)15-14-28-12-5-2-6-13-28/h1,3-4,7-11,16-19H,2,5-6,12-15H2
InChIKeyCGVKITKNISYOQL-UHFFFAOYSA-N
XLogP5.25
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500382.51
LogP ≤ 55.25
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
CID 70128353
3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70126489
3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 67260713
N,N,2-trimethyl-3-[3-(5-thiophen-3-yl-3-pyridinyl)pyrrolo[3,2-b]pyridin-1-yl]propan-1-amine
CID 70244963
3-(1-methylpyrazol-4-yl)-1-(pyrimidin-2-ylmethyl)pyrrolo[3,2-b]pyridine
CID 175819149
3-[3-phenylmethoxy-1-(2-piperidin-1-ylethyl)pyrazol-4-yl]pyridine
CID 67460818
2-phenyl-5-(2-piperidin-1-ylethoxy)-1,10-phenanthroline
CID 102447994
trimethyl-[2-[(3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl]silane
CID 170762612
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
2-[1-(2-piperidin-1-ylethyl)indol-3-yl]acetic acid
CID 28783033
3-(4-fluorophenyl)-2-pyridin-4-yl-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 11014525
4-phenyl-N-(2-piperidin-1-ylethyl)pyrimidin-2-amine
CID 171989082

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine (CID 70125549) is 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine is c1ccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)cc1.
What is the InChIKey of 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is CGVKITKNISYOQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N4/c1-3-8-20(9-4-1)21-16-22(18-26-17-21)23-19-29(24-10-7-11-27-25(23)24)15-14-28-12-5-2-6-13-28/h1,3-4,7-11,16-19H,2,5-6,12-15H2.
What are the key properties of 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 382.51 g/mol, XLogP of 5.25, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 70125549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).