1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone

C28H36N8O2 — CID 138687068

IUPAC1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N8O2/c1-18(2)25-26(21-15-36-28(29-17-30-36)20(4)19(21)3)31-22-5-6-23(32-27(22)25)34-7-9-35(10-8-34)24(37)16-33-11-13-38-14-12-33/h5-6,15,17-18,31H,7-14,16H2,1-4H3
InChIKeyRYALFMUUACUBRJ-UHFFFAOYSA-N
MW516.65 g/mol
LogP2.99
Rot. Bonds5

About 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone

1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone (PubChem CID 138687068) has the molecular formula C28H36N8O2 and a molecular weight of 516.65 g/mol. Its IUPAC name is 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
PubChem CID138687068
Molecular FormulaC28H36N8O2
Molecular Weight516.65 g/mol
Exact Mass516.30
IUPAC Name1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone
SMILESCc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C
InChIInChI=1S/C28H36N8O2/c1-18(2)25-26(21-15-36-28(29-17-30-36)20(4)19(21)3)31-22-5-6-23(32-27(22)25)34-7-9-35(10-8-34)24(37)16-33-11-13-38-14-12-33/h5-6,15,17-18,31H,7-14,16H2,1-4H3
InChIKeyRYALFMUUACUBRJ-UHFFFAOYSA-N
XLogP2.99
TPSA94.89 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms38
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.65
LogP ≤ 52.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone 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 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The IUPAC name of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone (CID 138687068) is 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone.
What is the SMILES notation for 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The canonical SMILES for 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone is Cc1c(-c2[nH]c3ccc(N4CCN(C(=O)CN5CCOCC5)CC4)nc3c2C(C)C)cn2ncnc2c1C.
What is the InChIKey of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?
The InChIKey is RYALFMUUACUBRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2/c1-18(2)25-26(21-15-36-28(29-17-30-36)20(4)19(21)3)31-22-5-6-23(32-27(22)25)34-7-9-35(10-8-34)24(37)16-33-11-13-38-14-12-33/h5-6,15,17-18,31H,7-14,16H2,1-4H3.
What are the key properties of 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone?
1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone has a molecular weight of 516.65 g/mol, XLogP of 2.99, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(7,8-dimethyl-[1,2,4]triazolo[1,5-a]pyridin-6-yl)-3-propan-2-yl-1H-pyrrolo[3,2-b]pyridin-5-yl]piperazin-1-yl]-2-morpholin-4-ylethanone is sourced from PubChem (CID 138687068), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).