[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate

C24H29N5O4 — CID 175279671

IUPAC[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate
SMILESCCn1cc(N2CCN(OC(=O)C(C)(C)C)CC2=O)c2ccc(OCc3ccccn3)nc21
InChIInChI=1S/C24H29N5O4/c1-5-27-14-19(29-13-12-28(15-21(29)30)33-23(31)24(2,3)4)18-9-10-20(26-22(18)27)32-16-17-8-6-7-11-25-17/h6-11,14H,5,12-13,15-16H2,1-4H3
InChIKeyCXBWGBKGTCCOFD-UHFFFAOYSA-N
MW451.53 g/mol
LogP3.18
Rot. Bonds6

About [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate

[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate (PubChem CID 175279671) has the molecular formula C24H29N5O4 and a molecular weight of 451.53 g/mol. Its IUPAC name is [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate.

Molecular Properties

Compound Name[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate
PubChem CID175279671
Molecular FormulaC24H29N5O4
Molecular Weight451.53 g/mol
Exact Mass451.22
IUPAC Name[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate
SMILESCCn1cc(N2CCN(OC(=O)C(C)(C)C)CC2=O)c2ccc(OCc3ccccn3)nc21
InChIInChI=1S/C24H29N5O4/c1-5-27-14-19(29-13-12-28(15-21(29)30)33-23(31)24(2,3)4)18-9-10-20(26-22(18)27)32-16-17-8-6-7-11-25-17/h6-11,14H,5,12-13,15-16H2,1-4H3
InChIKeyCXBWGBKGTCCOFD-UHFFFAOYSA-N
XLogP3.18
TPSA89.79 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.53
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate with MolForge

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

Launch Full Analysis

Related Compounds

[4-(1-ethyl-6-fluoropyrrolo[2,3-b]pyridin-3-yl)-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate
CID 174700580
4-cyclobutyloxy-1-[1-methyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]piperazin-2-one
CID 90378889
pyridin-2-ylmethyl 2,2-dimethylpentanoate
CID 3053080
[3-methyl-3-(pyridin-2-ylmethylcarbamoyl)pyrrolidin-1-yl] 2,2-dimethylpropanoate
CID 174977727
6-(pyridin-2-ylmethoxy)pyridine-3-carboxamide
CID 12017600
2-ethyl-5-(pyridin-2-ylmethoxy)isoquinolin-1-one
CID 18575800
2-methyl-6-(pyridin-2-ylmethoxy)pyridine
CID 86815736
ethyl 7-methyl-4-oxo-1-(pyridin-2-ylmethyl)-1,8-naphthyridine-3-carboxylate
CID 84584071
2,2-dimethyl-N-(pyridin-2-ylmethoxy)propanamide
CID 86795436
tert-butyl (2S)-2-(2-pyridin-2-ylacetyl)pyrrolidine-1-carboxylate
CID 93481126
tert-butyl 5-methyl-7-[2-oxo-4-(pyridin-2-ylmethoxy)-1-pyridinyl]-3,4-dihydro-1H-pyrido[4,3-b]indole-2-carboxylate
CID 70584723
tert-butyl 4-chloro-2-[2-(pyridin-2-ylmethoxy)-4-pyridinyl]pyrrolo[2,3-b]pyridine-1-carboxylate
CID 172570908

Frequently Asked Questions

What is the IUPAC name of [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate?
The IUPAC name of [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate (CID 175279671) is [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate.
What is the SMILES notation for [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate?
The canonical SMILES for [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate is CCn1cc(N2CCN(OC(=O)C(C)(C)C)CC2=O)c2ccc(OCc3ccccn3)nc21.
What is the InChIKey of [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate?
The InChIKey is CXBWGBKGTCCOFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O4/c1-5-27-14-19(29-13-12-28(15-21(29)30)33-23(31)24(2,3)4)18-9-10-20(26-22(18)27)32-16-17-8-6-7-11-25-17/h6-11,14H,5,12-13,15-16H2,1-4H3.
What are the key properties of [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate?
[4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate has a molecular weight of 451.53 g/mol, XLogP of 3.18, 6 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[1-ethyl-6-(pyridin-2-ylmethoxy)pyrrolo[2,3-b]pyridin-3-yl]-3-oxopiperazin-1-yl] 2,2-dimethylpropanoate is sourced from PubChem (CID 175279671), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).