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

C26H27N5O2 — CID 25062172

IUPAC(4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1
InChIInChI=1S/C26H27N5O2/c1-3-30-8-10-31(11-9-30)26(32)20-12-18(14-27-15-20)19-13-22-23(17-29-25(22)28-16-19)21-6-4-5-7-24(21)33-2/h4-7,12-17H,3,8-11H2,1-2H3,(H,28,29)
InChIKeyLLFOZPHERUDYDW-UHFFFAOYSA-N
MW441.54 g/mol
LogP4.08
Rot. Bonds5

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

(4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone (PubChem CID 25062172) has the molecular formula C26H27N5O2 and a molecular weight of 441.54 g/mol. Its IUPAC name is (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone.

Molecular Properties

Compound Name(4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
PubChem CID25062172
Molecular FormulaC26H27N5O2
Molecular Weight441.54 g/mol
Exact Mass441.22
IUPAC Name(4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone
SMILESCCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1
InChIInChI=1S/C26H27N5O2/c1-3-30-8-10-31(11-9-30)26(32)20-12-18(14-27-15-20)19-13-22-23(17-29-25(22)28-16-19)21-6-4-5-7-24(21)33-2/h4-7,12-17H,3,8-11H2,1-2H3,(H,28,29)
InChIKeyLLFOZPHERUDYDW-UHFFFAOYSA-N
XLogP4.08
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.54
LogP ≤ 54.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The IUPAC name of (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone (CID 25062172) is (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone.
What is the SMILES notation for (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The canonical SMILES for (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone is CCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5OC)c4c3)c2)CC1.
What is the InChIKey of (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
The InChIKey is LLFOZPHERUDYDW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N5O2/c1-3-30-8-10-31(11-9-30)26(32)20-12-18(14-27-15-20)19-13-22-23(17-29-25(22)28-16-19)21-6-4-5-7-24(21)33-2/h4-7,12-17H,3,8-11H2,1-2H3,(H,28,29).
What are the key properties of (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone?
(4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone has a molecular weight of 441.54 g/mol, XLogP of 4.08, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (4-ethylpiperazin-1-yl)-[5-[3-(2-methoxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]methanone is sourced from PubChem (CID 25062172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).