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

C26H28N4 — CID 70128353

IUPAC3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cccnc34)c2)cc1
InChIInChI=1S/C26H28N4/c1-3-9-21(10-4-1)22-17-23(19-27-18-22)24-20-30(25-11-7-12-28-26(24)25)16-8-15-29-13-5-2-6-14-29/h1,3-4,7,9-12,17-20H,2,5-6,8,13-16H2
InChIKeyBSLMVLGETJMSHM-UHFFFAOYSA-N
MW396.54 g/mol
LogP5.64
Rot. Bonds6

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

3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine (PubChem CID 70128353) has the molecular formula C26H28N4 and a molecular weight of 396.54 g/mol. Its IUPAC name is 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
PubChem CID70128353
Molecular FormulaC26H28N4
Molecular Weight396.54 g/mol
Exact Mass396.23
IUPAC Name3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
SMILESc1ccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cccnc34)c2)cc1
InChIInChI=1S/C26H28N4/c1-3-9-21(10-4-1)22-17-23(19-27-18-22)24-20-30(25-11-7-12-28-26(24)25)16-8-15-29-13-5-2-6-14-29/h1,3-4,7,9-12,17-20H,2,5-6,8,13-16H2
InChIKeyBSLMVLGETJMSHM-UHFFFAOYSA-N
XLogP5.64
TPSA33.95 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.54
LogP ≤ 55.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(5-phenyl-3-pyridinyl)-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 70125549
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
4-phenyl-2-(3-piperidin-1-ylpropyl)isoquinolin-1-one
CID 13174741
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
4-(4-phenylphenyl)imino-1-(3-piperidin-1-ylpropyl)-N-pyridin-2-ylquinolin-7-amine
CID 72703487
1-[3-(4-phenylphenoxy)propyl]piperidine
CID 56683751
trimethyl-[2-[(3-phenylpyrrolo[3,2-b]pyridin-1-yl)methoxy]ethyl]silane
CID 170762612
2-[1-(3-pyrrolidin-1-ylpropyl)indol-3-yl]acetic acid
CID 61493986
2-[5-bromo-1-(3-piperidin-1-ylpropyl)indol-3-yl]-4-(1-methylpyrrolo[2,3-b]pyridin-3-yl)-1,3-thiazole
CID 155805565

Frequently Asked Questions

What is the IUPAC name of 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine (CID 70128353) is 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine is c1ccc(-c2cncc(-c3cn(CCCN4CCCCC4)c4cccnc34)c2)cc1.
What is the InChIKey of 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine?
The InChIKey is BSLMVLGETJMSHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4/c1-3-9-21(10-4-1)22-17-23(19-27-18-22)24-20-30(25-11-7-12-28-26(24)25)16-8-15-29-13-5-2-6-14-29/h1,3-4,7,9-12,17-20H,2,5-6,8,13-16H2.
What are the key properties of 3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine?
3-(5-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine has a molecular weight of 396.54 g/mol, XLogP of 5.64, 6 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-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 70128353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).