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

C24H31N5O3 — CID 67371784

IUPAC[2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12
InChIInChI=1S/C24H31N5O3/c1-23(2)8-9-29(14-23)17-7-5-6-16(10-17)18-11-25-21-20(28-18)19(12-26-21)32-22(31)27-13-24(3,4)15-30/h5-7,10-12,30H,8-9,13-15H2,1-4H3,(H,25,26)(H,27,31)
InChIKeyOTWGASXVHLHGKE-UHFFFAOYSA-N
MW437.54 g/mol
LogP3.97
Rot. Bonds6

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

[2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate (PubChem CID 67371784) has the molecular formula C24H31N5O3 and a molecular weight of 437.54 g/mol. Its IUPAC name is [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate.

Molecular Properties

Compound Name[2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate
PubChem CID67371784
Molecular FormulaC24H31N5O3
Molecular Weight437.54 g/mol
Exact Mass437.24
IUPAC Name[2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate
SMILESCC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12
InChIInChI=1S/C24H31N5O3/c1-23(2)8-9-29(14-23)17-7-5-6-16(10-17)18-11-25-21-20(28-18)19(12-26-21)32-22(31)27-13-24(3,4)15-30/h5-7,10-12,30H,8-9,13-15H2,1-4H3,(H,25,26)(H,27,31)
InChIKeyOTWGASXVHLHGKE-UHFFFAOYSA-N
XLogP3.97
TPSA103.37 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.54
LogP ≤ 53.97
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)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 [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The IUPAC name of [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate (CID 67371784) is [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate.
What is the SMILES notation for [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The canonical SMILES for [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate is CC(C)(CO)CNC(=O)Oc1c[nH]c2ncc(-c3cccc(N4CCC(C)(C)C4)c3)nc12.
What is the InChIKey of [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
The InChIKey is OTWGASXVHLHGKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H31N5O3/c1-23(2)8-9-29(14-23)17-7-5-6-16(10-17)18-11-25-21-20(28-18)19(12-26-21)32-22(31)27-13-24(3,4)15-30/h5-7,10-12,30H,8-9,13-15H2,1-4H3,(H,25,26)(H,27,31).
What are the key properties of [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate?
[2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate has a molecular weight of 437.54 g/mol, XLogP of 3.97, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-[3-(3,3-dimethylpyrrolidin-1-yl)phenyl]-5H-pyrrolo[2,3-b]pyrazin-7-yl] N-(3-hydroxy-2,2-dimethylpropyl)carbamate is sourced from PubChem (CID 67371784), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).