tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

C39H40N12O5 — CID 158284031

IUPACtert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c4n3)n[nH]c2c1.Cc1ccc2c(-c3cnc4[nH]cc(C(=O)O)c4n3)n[nH]c2c1
InChIInChI=1S/C24H29N7O3.C15H11N5O2/c1-13-7-8-14-16(9-13)30-31-18(14)17-11-26-20-19(28-17)15(10-25-20)21(32)29-24(5,6)12-27-22(33)34-23(2,3)4;1-7-2-3-8-10(4-7)19-20-12(8)11-6-17-14-13(18-11)9(5-16-14)15(21)22/h7-11H,12H2,1-6H3,(H,25,26)(H,27,33)(H,29,32)(H,30,31);2-6H,1H3,(H,16,17)(H,19,20)(H,21,22)
InChIKeyGKNZIGQLOMWHND-UHFFFAOYSA-N
MW756.83 g/mol
LogP6.35
Rot. Bonds7

About tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid

tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (PubChem CID 158284031) has the molecular formula C39H40N12O5 and a molecular weight of 756.83 g/mol. Its IUPAC name is tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.

Molecular Properties

Compound Nametert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
PubChem CID158284031
Molecular FormulaC39H40N12O5
Molecular Weight756.83 g/mol
Exact Mass756.32
IUPAC Nametert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
SMILESCc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c4n3)n[nH]c2c1.Cc1ccc2c(-c3cnc4[nH]cc(C(=O)O)c4n3)n[nH]c2c1
InChIInChI=1S/C24H29N7O3.C15H11N5O2/c1-13-7-8-14-16(9-13)30-31-18(14)17-11-26-20-19(28-17)15(10-25-20)21(32)29-24(5,6)12-27-22(33)34-23(2,3)4;1-7-2-3-8-10(4-7)19-20-12(8)11-6-17-14-13(18-11)9(5-16-14)15(21)22/h7-11H,12H2,1-6H3,(H,25,26)(H,27,33)(H,29,32)(H,30,31);2-6H,1H3,(H,16,17)(H,19,20)(H,21,22)
InChIKeyGKNZIGQLOMWHND-UHFFFAOYSA-N
XLogP6.35
TPSA245.23 Ų
H-Bond Donors7
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms56
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500756.83
LogP ≤ 56.35
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1010

Analyze tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid 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

N-tert-butyl-2-[7-(2-hydroxypropan-2-yl)-2H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71280407
2-[6-fluoro-1-(2-pyrazol-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279308
2-(1-methyl-6-(trifluoromethyl)-1H-indazol-3-yl)-5H-pyrrolo[3,2-b]pyrazine-7-carboxylic acid
CID 71279764
2-(6-fluoro-1-piperidin-4-ylindazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71279803
2-(6-methyl-1H-indazol-3-yl)-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide 2,2,2-trifluoroacetate
CID 71280178
2-[6-fluoro-1-(pyridin-3-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280438
2-[6-fluoro-1-(2-pyrrolidin-1-ylethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280632
2-[6-fluoro-1-(pyridin-2-ylmethyl)indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71280920
2-[6-(fluoromethyl)-1H-indazol-3-yl]-5-(2-trimethylsilylethoxymethyl)pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71283580
2-[6-(fluoromethyl)-1H-indazol-3-yl]-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid
CID 71283584
2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(3-methylpyrrolidin-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71283686
2-[6-(fluoromethyl)-1H-indazol-3-yl]-N-(4-hydroxy-2-methylbutan-2-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxamide
CID 71283702

Frequently Asked Questions

What is the IUPAC name of tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The IUPAC name of tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid (CID 158284031) is tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid.
What is the SMILES notation for tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The canonical SMILES for tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is Cc1ccc2c(-c3cnc4[nH]cc(C(=O)NC(C)(C)CNC(=O)OC(C)(C)C)c4n3)n[nH]c2c1.Cc1ccc2c(-c3cnc4[nH]cc(C(=O)O)c4n3)n[nH]c2c1.
What is the InChIKey of tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
The InChIKey is GKNZIGQLOMWHND-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N7O3.C15H11N5O2/c1-13-7-8-14-16(9-13)30-31-18(14)17-11-26-20-19(28-17)15(10-25-20)21(32)29-24(5,6)12-27-22(33)34-23(2,3)4;1-7-2-3-8-10(4-7)19-20-12(8)11-6-17-14-13(18-11)9(5-16-14)15(21)22/h7-11H,12H2,1-6H3,(H,25,26)(H,27,33)(H,29,32)(H,30,31);2-6H,1H3,(H,16,17)(H,19,20)(H,21,22).
What are the key properties of tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid?
tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid has a molecular weight of 756.83 g/mol, XLogP of 6.35, 7 rotatable bonds, 7 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl N-[2-methyl-2-[[2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carbonyl]amino]propyl]carbamate;2-(6-methyl-1H-indazol-3-yl)-5H-pyrrolo[2,3-b]pyrazine-7-carboxylic acid is sourced from PubChem (CID 158284031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).