N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

C19H20N6O2 — CID 71279723

IUPACN-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1ccc2cnn(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c2c1
InChIInChI=1S/C19H20N6O2/c1-19(2,3)24-18(26)13-9-20-17-16(13)23-15(10-21-17)25-14-7-12(27-4)6-5-11(14)8-22-25/h5-10H,1-4H3,(H,20,21)(H,24,26)
InChIKeyMUDBEIVJVOJXOK-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.83
Rot. Bonds3

About N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide

N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (PubChem CID 71279723) has the molecular formula C19H20N6O2 and a molecular weight of 364.41 g/mol. Its IUPAC name is N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.

Molecular Properties

Compound NameN-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
PubChem CID71279723
Molecular FormulaC19H20N6O2
Molecular Weight364.41 g/mol
Exact Mass364.16
IUPAC NameN-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
SMILESCOc1ccc2cnn(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c2c1
InChIInChI=1S/C19H20N6O2/c1-19(2,3)24-18(26)13-9-20-17-16(13)23-15(10-21-17)25-14-7-12(27-4)6-5-11(14)8-22-25/h5-10H,1-4H3,(H,20,21)(H,24,26)
InChIKeyMUDBEIVJVOJXOK-UHFFFAOYSA-N
XLogP2.83
TPSA97.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-tert-butyl-2-(6-methoxyindazol-1-yl)-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-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The IUPAC name of N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide (CID 71279723) is N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide.
What is the SMILES notation for N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The canonical SMILES for N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is COc1ccc2cnn(-c3cnc4[nH]cc(C(=O)NC(C)(C)C)c4n3)c2c1.
What is the InChIKey of N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
The InChIKey is MUDBEIVJVOJXOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N6O2/c1-19(2,3)24-18(26)13-9-20-17-16(13)23-15(10-21-17)25-14-7-12(27-4)6-5-11(14)8-22-25/h5-10H,1-4H3,(H,20,21)(H,24,26).
What are the key properties of N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide?
N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide has a molecular weight of 364.41 g/mol, XLogP of 2.83, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-2-(6-methoxyindazol-1-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide is sourced from PubChem (CID 71279723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).