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

C26H28N4O — CID 70126489

IUPAC3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESCOc1cccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)c1
InChIInChI=1S/C26H28N4O/c1-31-23-8-5-7-20(16-23)21-15-22(18-27-17-21)24-19-30(25-9-6-10-28-26(24)25)14-13-29-11-3-2-4-12-29/h5-10,15-19H,2-4,11-14H2,1H3
InChIKeyWDKNJOAIOYGNOB-UHFFFAOYSA-N
MW412.54 g/mol
LogP5.26
Rot. Bonds6

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

3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine (PubChem CID 70126489) has the molecular formula C26H28N4O and a molecular weight of 412.54 g/mol. Its IUPAC name is 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine.

Molecular Properties

Compound Name3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
PubChem CID70126489
Molecular FormulaC26H28N4O
Molecular Weight412.54 g/mol
Exact Mass412.23
IUPAC Name3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine
SMILESCOc1cccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)c1
InChIInChI=1S/C26H28N4O/c1-31-23-8-5-7-20(16-23)21-15-22(18-27-17-21)24-19-30(25-9-6-10-28-26(24)25)14-13-29-11-3-2-4-12-29/h5-10,15-19H,2-4,11-14H2,1H3
InChIKeyWDKNJOAIOYGNOB-UHFFFAOYSA-N
XLogP5.26
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500412.54
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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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-phenyl-3-pyridinyl)-1-(3-piperidin-1-ylpropyl)pyrrolo[3,2-b]pyridine
CID 70128353
3-iodo-1-(2-pyrrolidin-1-ylethyl)pyrrolo[3,2-b]pyridine
CID 67260713
1-[2-[4-[[6-(3-methoxyphenyl)naphthalen-2-yl]oxymethoxy]phenoxy]ethyl]piperidine
CID 139884839
2-N-[3-(3-methoxyphenyl)phenyl]-4-N-(3-piperidin-1-ylpropyl)pyrimidine-2,4-diamine
CID 24798064
1-[4-(3-methoxyphenyl)phenyl]-3-(3-piperidin-1-ylpropyl)urea
CID 143531596
1-[6-(3-methoxyphenoxy)hexyl]piperidine
CID 2232457
3-(3-ethylphenyl)-5-(3-methoxyphenyl)pyridine
CID 71141792
1-[2-(3-phenylphenoxy)ethyl]piperidine
CID 58483782
3-[5-(3-chlorophenyl)-3-pyridinyl]-1-ethyl-5-methoxyindole
CID 57258359
6-(3-methoxyphenyl)-4-piperidin-1-yl-2-pyridin-3-ylquinazoline
CID 71181032
N-[4-(3-methoxyphenyl)phenyl]-5-pyrrolidin-1-ylpentanamide
CID 59840445

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The IUPAC name of 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine (CID 70126489) is 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine.
What is the SMILES notation for 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The canonical SMILES for 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine is COc1cccc(-c2cncc(-c3cn(CCN4CCCCC4)c4cccnc34)c2)c1.
What is the InChIKey of 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
The InChIKey is WDKNJOAIOYGNOB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H28N4O/c1-31-23-8-5-7-20(16-23)21-15-22(18-27-17-21)24-19-30(25-9-6-10-28-26(24)25)14-13-29-11-3-2-4-12-29/h5-10,15-19H,2-4,11-14H2,1H3.
What are the key properties of 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine?
3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine has a molecular weight of 412.54 g/mol, XLogP of 5.26, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-methoxyphenyl)-3-pyridinyl]-1-(2-piperidin-1-ylethyl)pyrrolo[3,2-b]pyridine is sourced from PubChem (CID 70126489), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).