ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate

C26H33N5O3 — CID 59540825

IUPACethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate
SMILESCCOC(=O)NC1CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C
InChIInChI=1S/C26H33N5O3/c1-7-34-24(33)30-20-14-31(15-26(20,5)6)17-10-8-9-16(11-17)19-13-28-23-21(29-19)18(12-27-23)22(32)25(2,3)4/h8-13,20H,7,14-15H2,1-6H3,(H,27,28)(H,30,33)
InChIKeyZMWRVZBOPMBSIB-UHFFFAOYSA-N
MW463.58 g/mol
LogP4.81
Rot. Bonds5

About ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate

ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate (PubChem CID 59540825) has the molecular formula C26H33N5O3 and a molecular weight of 463.58 g/mol. Its IUPAC name is ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate.

Molecular Properties

Compound Nameethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate
PubChem CID59540825
Molecular FormulaC26H33N5O3
Molecular Weight463.58 g/mol
Exact Mass463.26
IUPAC Nameethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate
SMILESCCOC(=O)NC1CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C
InChIInChI=1S/C26H33N5O3/c1-7-34-24(33)30-20-14-31(15-26(20,5)6)17-10-8-9-16(11-17)19-13-28-23-21(29-19)18(12-27-23)22(32)25(2,3)4/h8-13,20H,7,14-15H2,1-6H3,(H,27,28)(H,30,33)
InChIKeyZMWRVZBOPMBSIB-UHFFFAOYSA-N
XLogP4.81
TPSA100.21 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.58
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate 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 ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate?
The IUPAC name of ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate (CID 59540825) is ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate.
What is the SMILES notation for ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate?
The canonical SMILES for ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate is CCOC(=O)NC1CN(c2cccc(-c3cnc4[nH]cc(C(=O)C(C)(C)C)c4n3)c2)CC1(C)C.
What is the InChIKey of ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate?
The InChIKey is ZMWRVZBOPMBSIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N5O3/c1-7-34-24(33)30-20-14-31(15-26(20,5)6)17-10-8-9-16(11-17)19-13-28-23-21(29-19)18(12-27-23)22(32)25(2,3)4/h8-13,20H,7,14-15H2,1-6H3,(H,27,28)(H,30,33).
What are the key properties of ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate?
ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate has a molecular weight of 463.58 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[1-[3-[7-(2,2-dimethylpropanoyl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]-4,4-dimethylpyrrolidin-3-yl]carbamate is sourced from PubChem (CID 59540825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).