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

C24H23N5O2 — CID 71166577

IUPAC[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5O)c4c3)c2)CC1
InChIInChI=1S/C24H23N5O2/c1-28-6-8-29(9-7-28)24(31)18-10-16(12-25-13-18)17-11-20-21(15-27-23(20)26-14-17)19-4-2-3-5-22(19)30/h2-5,10-15,30H,6-9H2,1H3,(H,26,27)
InChIKeyDLALMUYXKGWJHS-UHFFFAOYSA-N
MW413.48 g/mol
LogP3.39
Rot. Bonds3

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

[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (PubChem CID 71166577) has the molecular formula C24H23N5O2 and a molecular weight of 413.48 g/mol. Its IUPAC name is [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.

Molecular Properties

Compound Name[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
PubChem CID71166577
Molecular FormulaC24H23N5O2
Molecular Weight413.48 g/mol
Exact Mass413.19
IUPAC Name[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone
SMILESCN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5O)c4c3)c2)CC1
InChIInChI=1S/C24H23N5O2/c1-28-6-8-29(9-7-28)24(31)18-10-16(12-25-13-18)17-11-20-21(15-27-23(20)26-14-17)19-4-2-3-5-22(19)30/h2-5,10-15,30H,6-9H2,1H3,(H,26,27)
InChIKeyDLALMUYXKGWJHS-UHFFFAOYSA-N
XLogP3.39
TPSA85.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.48
LogP ≤ 53.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The IUPAC name of [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone (CID 71166577) is [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone.
What is the SMILES notation for [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The canonical SMILES for [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is CN1CCN(C(=O)c2cncc(-c3cnc4[nH]cc(-c5ccccc5O)c4c3)c2)CC1.
What is the InChIKey of [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
The InChIKey is DLALMUYXKGWJHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O2/c1-28-6-8-29(9-7-28)24(31)18-10-16(12-25-13-18)17-11-20-21(15-27-23(20)26-14-17)19-4-2-3-5-22(19)30/h2-5,10-15,30H,6-9H2,1H3,(H,26,27).
What are the key properties of [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone?
[5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone has a molecular weight of 413.48 g/mol, XLogP of 3.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [5-[3-(2-hydroxyphenyl)-1H-pyrrolo[2,3-b]pyridin-5-yl]-3-pyridinyl]-(4-methylpiperazin-1-yl)methanone is sourced from PubChem (CID 71166577), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).