5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

C25H27N5O — CID 70973836

IUPAC5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(c2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1
InChIInChI=1S/C25H27N5O/c1-3-29-8-10-30(11-9-29)20-12-18(14-26-16-20)19-13-22-23(17-28-25(22)27-15-19)21-6-4-5-7-24(21)31-2/h4-7,12-17H,3,8-11H2,1-2H3,(H,27,28)
InChIKeySOKLSTQGSFKXPY-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.44
Rot. Bonds5

About 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine

5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 70973836) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID70973836
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(c2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1
InChIInChI=1S/C25H27N5O/c1-3-29-8-10-30(11-9-29)20-12-18(14-26-16-20)19-13-22-23(17-28-25(22)27-15-19)21-6-4-5-7-24(21)31-2/h4-7,12-17H,3,8-11H2,1-2H3,(H,27,28)
InChIKeySOKLSTQGSFKXPY-UHFFFAOYSA-N
XLogP4.44
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699885
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
3-(2-methoxyphenyl)-5-(1H-pyrrol-3-yl)-1H-pyrrolo[2,3-b]pyridine
CID 59699759
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 16750094
2-[4-(2-hydroxyethyl)piperazin-1-yl]-5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-N,N-dimethylpyridine-3-carboxamide
CID 59699936
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 123855828
2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
CID 59700026
3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 88967742
1-ethyl-4-(5-methoxy-3-pyridinyl)piperazine
CID 22053538
N-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]acetamide;silver
CID 131739517

Frequently Asked Questions

What is the IUPAC name of 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 70973836) is 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCN1CCN(c2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1.
What is the InChIKey of 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is SOKLSTQGSFKXPY-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-3-29-8-10-30(11-9-29)20-12-18(14-26-16-20)19-13-22-23(17-28-25(22)27-15-19)21-6-4-5-7-24(21)31-2/h4-7,12-17H,3,8-11H2,1-2H3,(H,27,28).
What are the key properties of 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 413.53 g/mol, XLogP of 4.44, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 70973836), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).