5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine

C22H20N2O — CID 175083824

IUPAC5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(C(C)c2ccc(-c3cnc4[nH]ccc4c3)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-15(17-7-9-21(25-2)10-8-17)16-3-5-18(6-4-16)20-13-19-11-12-23-22(19)24-14-20/h3-15H,1-2H3,(H,23,24)
InChIKeyNCHGPCBFJVABHD-UHFFFAOYSA-N
MW328.42 g/mol
LogP5.39
Rot. Bonds4

About 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine

5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine (PubChem CID 175083824) has the molecular formula C22H20N2O and a molecular weight of 328.42 g/mol. Its IUPAC name is 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
PubChem CID175083824
Molecular FormulaC22H20N2O
Molecular Weight328.42 g/mol
Exact Mass328.16
IUPAC Name5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine
SMILESCOc1ccc(C(C)c2ccc(-c3cnc4[nH]ccc4c3)cc2)cc1
InChIInChI=1S/C22H20N2O/c1-15(17-7-9-21(25-2)10-8-17)16-3-5-18(6-4-16)20-13-19-11-12-23-22(19)24-14-20/h3-15H,1-2H3,(H,23,24)
InChIKeyNCHGPCBFJVABHD-UHFFFAOYSA-N
XLogP5.39
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.42
LogP ≤ 55.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-(3,4-dimethoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 10149230
5-(4-pyrimidin-2-yloxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 141408563
5-(2-methylpyrimidin-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 140781014
5-(1H-pyrrolo[2,3-b]pyridin-5-yloxy)-1H-pyrrolo[2,3-b]pyridine
CID 158881003
6-(1H-pyrrolo[2,3-b]pyridin-5-yl)quinoxaline
CID 141301480
5-fluoro-1H-pyrrolo[2,3-b]pyridine;bis(2-methylpropane)
CID 160915943
5-[(2,4-dimethoxyphenyl)methoxy]-1H-pyrrolo[2,3-b]pyridine
CID 25027180
3-(4-methoxyphenyl)-5-propan-2-ylpyridine
CID 59144720
N-ethyl-N-[[5-(1H-pyrrolo[2,3-b]pyridin-5-yl)-2-pyridinyl]methyl]ethanamine
CID 67961671
5-(1H-pyrrolo[2,3-b]pyridin-5-yl)pyridine-2-carboxamide
CID 91030221
N-[3-methoxy-4-(1H-pyrrolo[2,3-b]pyridin-5-yl)phenyl]acetamide
CID 175464575
5-ethyl-1H-pyrrolo[2,3-b]pyridine
CID 54231217

Frequently Asked Questions

What is the IUPAC name of 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine (CID 175083824) is 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine is COc1ccc(C(C)c2ccc(-c3cnc4[nH]ccc4c3)cc2)cc1.
What is the InChIKey of 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is NCHGPCBFJVABHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O/c1-15(17-7-9-21(25-2)10-8-17)16-3-5-18(6-4-16)20-13-19-11-12-23-22(19)24-14-20/h3-15H,1-2H3,(H,23,24).
What are the key properties of 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine?
5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 328.42 g/mol, XLogP of 5.39, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-[1-(4-methoxyphenyl)ethyl]phenyl]-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 175083824), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).