2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride

C26H30ClF3N6O4 — CID 172632496

IUPAC2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride
SMILESCCc1c(N2CCNCC2)c(=O)c2nc(-c3ccnc(OC)c3)oc2n1CC(=O)NC12CC(C(F)(F)F)(C1)C2.Cl
InChIInChI=1S/C26H29F3N6O4.ClH/c1-3-16-20(34-8-6-30-7-9-34)21(37)19-23(39-22(32-19)15-4-5-31-18(10-15)38-2)35(16)11-17(36)33-25-12-24(13-25,14-25)26(27,28)29;/h4-5,10,30H,3,6-9,11-14H2,1-2H3,(H,33,36);1H
InChIKeyHAOZXQORRUCTHT-UHFFFAOYSA-N
MW583.01 g/mol
LogP3.06
Rot. Bonds7

About 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride

2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride (PubChem CID 172632496) has the molecular formula C26H30ClF3N6O4 and a molecular weight of 583.01 g/mol. Its IUPAC name is 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride.

Molecular Properties

Compound Name2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride
PubChem CID172632496
Molecular FormulaC26H30ClF3N6O4
Molecular Weight583.01 g/mol
Exact Mass582.20
IUPAC Name2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride
SMILESCCc1c(N2CCNCC2)c(=O)c2nc(-c3ccnc(OC)c3)oc2n1CC(=O)NC12CC(C(F)(F)F)(C1)C2.Cl
InChIInChI=1S/C26H29F3N6O4.ClH/c1-3-16-20(34-8-6-30-7-9-34)21(37)19-23(39-22(32-19)15-4-5-31-18(10-15)38-2)35(16)11-17(36)33-25-12-24(13-25,14-25)26(27,28)29;/h4-5,10,30H,3,6-9,11-14H2,1-2H3,(H,33,36);1H
InChIKeyHAOZXQORRUCTHT-UHFFFAOYSA-N
XLogP3.06
TPSA114.52 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms40
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500583.01
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride 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 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride?
The IUPAC name of 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride (CID 172632496) is 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride.
What is the SMILES notation for 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride?
The canonical SMILES for 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride is CCc1c(N2CCNCC2)c(=O)c2nc(-c3ccnc(OC)c3)oc2n1CC(=O)NC12CC(C(F)(F)F)(C1)C2.Cl.
What is the InChIKey of 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride?
The InChIKey is HAOZXQORRUCTHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29F3N6O4.ClH/c1-3-16-20(34-8-6-30-7-9-34)21(37)19-23(39-22(32-19)15-4-5-31-18(10-15)38-2)35(16)11-17(36)33-25-12-24(13-25,14-25)26(27,28)29;/h4-5,10,30H,3,6-9,11-14H2,1-2H3,(H,33,36);1H.
What are the key properties of 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride?
2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride has a molecular weight of 583.01 g/mol, XLogP of 3.06, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-ethyl-2-(2-methoxy-4-pyridinyl)-7-oxo-6-piperazin-1-yl-[1,3]oxazolo[5,4-b]pyridin-4-yl]-N-[3-(trifluoromethyl)-1-bicyclo[1.1.1]pentanyl]acetamide;hydrochloride is sourced from PubChem (CID 172632496), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).