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

C26H29N5O — CID 59699885

IUPAC5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(Cc2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1
InChIInChI=1S/C26H29N5O/c1-3-30-8-10-31(11-9-30)18-19-12-20(15-27-14-19)21-13-23-24(17-29-26(23)28-16-21)22-6-4-5-7-25(22)32-2/h4-7,12-17H,3,8-11,18H2,1-2H3,(H,28,29)
InChIKeyRVXZYCAJTGAGIR-UHFFFAOYSA-N
MW427.55 g/mol
LogP4.44
Rot. Bonds6

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

5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (PubChem CID 59699885) has the molecular formula C26H29N5O and a molecular weight of 427.55 g/mol. Its IUPAC name is 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
PubChem CID59699885
Molecular FormulaC26H29N5O
Molecular Weight427.55 g/mol
Exact Mass427.24
IUPAC Name5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
SMILESCCN1CCN(Cc2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1
InChIInChI=1S/C26H29N5O/c1-3-30-8-10-31(11-9-30)18-19-12-20(15-27-14-19)21-13-23-24(17-29-26(23)28-16-21)22-6-4-5-7-25(22)32-2/h4-7,12-17H,3,8-11,18H2,1-2H3,(H,28,29)
InChIKeyRVXZYCAJTGAGIR-UHFFFAOYSA-N
XLogP4.44
TPSA57.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500427.55
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-[5-(4-ethylpiperazin-1-yl)-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 70973836
5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]pyridine-3-carboxamide
CID 25166699
1-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]-N-methylmethanamine
CID 123855828
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
4-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-1H-pyridin-2-one
CID 11515215
5-(2-fluoro-4-pyridinyl)-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine
CID 59699789
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
2-[3-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]phenyl]imidazolidin-2-ol
CID 59700026
1-[[5-(4-ethoxyphenyl)-3-pyridinyl]methyl]-4-ethylpiperazine
CID 46044468
3-(2-methoxyphenyl)-5-(3-nitroso-1H-1,2,4-triazol-5-yl)-1H-pyrrolo[2,3-b]pyridine
CID 88967742
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)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine (CID 59699885) is 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is CCN1CCN(Cc2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1.
What is the InChIKey of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is RVXZYCAJTGAGIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29N5O/c1-3-30-8-10-31(11-9-30)18-19-12-20(15-27-14-19)21-13-23-24(17-29-26(23)28-16-21)22-6-4-5-7-25(22)32-2/h4-7,12-17H,3,8-11,18H2,1-2H3,(H,28,29).
What are the key properties of 5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine?
5-[5-[(4-ethylpiperazin-1-yl)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 427.55 g/mol, XLogP of 4.44, 6 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)methyl]-3-pyridinyl]-3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 59699885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).