N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C18H21N5O3S — CID 73295614

IUPACN-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyOZGPACKEDNQGSG-UHFFFAOYSA-N
MW387.47 g/mol
LogP2.63
Rot. Bonds4

About N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 73295614) has the molecular formula C18H21N5O3S and a molecular weight of 387.47 g/mol. Its IUPAC name is N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID73295614
Molecular FormulaC18H21N5O3S
Molecular Weight387.47 g/mol
Exact Mass387.14
IUPAC NameN-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12
InChIInChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24)
InChIKeyOZGPACKEDNQGSG-UHFFFAOYSA-N
XLogP2.63
TPSA116.84 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.47
LogP ≤ 52.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide 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 N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 73295614) is N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is CC(C)(C)NC(=O)c1c[nH]c2ncc(Nc3ccc(S(C)(=O)=O)cc3)nc12.
What is the InChIKey of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is OZGPACKEDNQGSG-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21N5O3S/c1-18(2,3)23-17(24)13-9-19-16-15(13)22-14(10-20-16)21-11-5-7-12(8-6-11)27(4,25)26/h5-10H,1-4H3,(H,19,20)(H,21,22)(H,23,24).
What are the key properties of N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 387.47 g/mol, XLogP of 2.63, 4 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(4-methylsulfonylanilino)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 73295614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).