tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate

C26H30N8O3 — CID 166522143

IUPACtert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
SMILESCc1cn2nc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4ccnnc34)cc2c(C)n1
InChIInChI=1S/C26H30N8O3/c1-16-15-34-21(17(2)28-16)14-22(31-34)29-24(35)19-6-7-20(18-8-9-27-30-23(18)19)32-10-12-33(13-11-32)25(36)37-26(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,29,31,35)
InChIKeyIEBSSVIBQHSNBI-UHFFFAOYSA-N
MW502.58 g/mol
LogP3.60
Rot. Bonds3

About tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate

tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate (PubChem CID 166522143) has the molecular formula C26H30N8O3 and a molecular weight of 502.58 g/mol. Its IUPAC name is tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nametert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
PubChem CID166522143
Molecular FormulaC26H30N8O3
Molecular Weight502.58 g/mol
Exact Mass502.24
IUPAC Nametert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
SMILESCc1cn2nc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4ccnnc34)cc2c(C)n1
InChIInChI=1S/C26H30N8O3/c1-16-15-34-21(17(2)28-16)14-22(31-34)29-24(35)19-6-7-20(18-8-9-27-30-23(18)19)32-10-12-33(13-11-32)25(36)37-26(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,29,31,35)
InChIKeyIEBSSVIBQHSNBI-UHFFFAOYSA-N
XLogP3.60
TPSA117.85 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500502.58
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Analyze tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

tert-butyl 4-[8-[(8-acetyl-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate
CID 167500169
tert-butyl 4-[7-[(7-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methylindazol-4-yl]piperazine-1-carboxylate
CID 167501543
tert-butyl (2R,6S)-4-[8-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]cinnolin-5-yl]-2,6-dimethylpiperazine-1-carboxylate
CID 167500543
tert-butyl 4-(7-carbamoyl-2-methylindazol-4-yl)piperazine-1-carboxylate
CID 167501698
N-(2,8-dimethylimidazo[1,2-b]pyridazin-6-yl)-4-piperazin-1-ylcinnoline-8-carboxamide
CID 171717340
3-methoxy-5-[4-[(2-methylpropan-2-yl)oxycarbonyl]piperazin-1-yl]cinnoline-8-carboxylic acid
CID 167500348
tert-butyl 4-[7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]-2-methyl-1H-indol-4-yl]piperazine-1-carboxylate
CID 175593388
N-(8-chloro-2-methylimidazo[1,2-a]pyridin-6-yl)-5-piperazin-1-ylcinnoline-8-carboxamide
CID 166522206
tert-butyl 4-[2-methyl-7-(methylcarbamoyl)-1-benzofuran-4-yl]piperazine-1-carboxylate
CID 170380641
tert-butyl 4-[7-[(4-fluoro-2-methylindazol-6-yl)carbamoyl]-2-methyl-1-benzofuran-4-yl]piperazine-1-carboxylate
CID 166173811
tert-butyl 4-[2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-4-oxo-3H-quinazolin-6-yl]piperazine-1-carboxylate;2-(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)-6-piperazin-1-yl-3H-quinazolin-4-one
CID 167562119
tert-butyl 4-[2-[[3-[tert-butyl(dimethyl)silyl]oxy-1-bicyclo[1.1.1]pentanyl]methyl]-7-[(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)carbamoyl]indazol-4-yl]piperazine-1-carboxylate;hydrofluoride
CID 171854224

Frequently Asked Questions

What is the IUPAC name of tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate?
The IUPAC name of tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate (CID 166522143) is tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate.
What is the SMILES notation for tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate?
The canonical SMILES for tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate is Cc1cn2nc(NC(=O)c3ccc(N4CCN(C(=O)OC(C)(C)C)CC4)c4ccnnc34)cc2c(C)n1.
What is the InChIKey of tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate?
The InChIKey is IEBSSVIBQHSNBI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O3/c1-16-15-34-21(17(2)28-16)14-22(31-34)29-24(35)19-6-7-20(18-8-9-27-30-23(18)19)32-10-12-33(13-11-32)25(36)37-26(3,4)5/h6-9,14-15H,10-13H2,1-5H3,(H,29,31,35).
What are the key properties of tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate?
tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate has a molecular weight of 502.58 g/mol, XLogP of 3.60, 3 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for tert-butyl 4-[8-[(4,6-dimethylpyrazolo[1,5-a]pyrazin-2-yl)carbamoyl]cinnolin-5-yl]piperazine-1-carboxylate is sourced from PubChem (CID 166522143), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).