benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

C125H106Cl5N37O11 — CID 158913765

About benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate

benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (PubChem CID 158913765) has the molecular formula C125H106Cl5N37O11 and a molecular weight of 2479.74 g/mol. Its IUPAC name is benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

Molecular Properties

• Compound Name: benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
• PubChem CID: 158913765
• Molecular Formula: C125H106Cl5N37O11
• Molecular Weight: 2479.74 g/mol
• Exact Mass: 2475.73
• IUPAC Name: benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate
• SMILES: CN1CCC(COC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.CN1CCC(OC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.Cn1ccc(-c2nc(NC(=O)OC3CCCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OC3CCOCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C26H25ClN8O2.C26H18ClN7O2.C25H23ClN8O2.C24H20ClN7O3.C24H20ClN7O2/c1-34-9-5-16(6-10-34)15-37-26(36)32-25-21(14-28)30-23(24(31-25)20-7-11-35(2)33-20)18-12-17-4-3-8-29-22(17)19(27)13-18;1-34-11-9-20(33-34)24-23(18-12-17-8-5-10-29-22(17)19(27)13-18)30-21(14-28)25(31-24)32-26(35)36-15-16-6-3-2-4-7-16;1-33-9-5-17(6-10-33)36-25(35)31-24-20(14-27)29-22(23(30-24)19-7-11-34(2)32-19)16-12-15-4-3-8-28-21(15)18(26)13-16;1-32-8-4-18(31-32)22-21(15-11-14-3-2-7-27-20(14)17(25)12-15)28-19(13-26)23(29-22)30-24(33)35-16-5-9-34-10-6-16;1-32-10-8-18(31-32)22-21(15-11-14-5-4-9-27-20(14)17(25)12-15)28-19(13-26)23(29-22)30-24(33)34-16-6-2-3-7-16/h3-4,7-8,11-13,16H,5-6,9-10,15H2,1-2H3,(H,31,32,36);2-13H,15H2,1H3,(H,31,32,35);3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,30,31,35);2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H,29,30,33);4-5,8-12,16H,2-3,6-7H2,1H3,(H,29,30,33)
• InChIKey: JGZASVXVRKNCAR-UHFFFAOYSA-N
• XLogP: 23.59
• TPSA: 608.76 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 43
• Rotatable Bonds: 22
• Heavy Atoms: 178
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	2479.74
LogP ≤ 5	23.59
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	43

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': '>_2_ester_groups', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

The IUPAC name of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate (CID 158913765) is benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate.

What is the SMILES notation for benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

The canonical SMILES for benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is CN1CCC(COC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.CN1CCC(OC(=O)Nc2nc(-c3ccn(C)n3)c(-c3cc(Cl)c4ncccc4c3)nc2C#N)CC1.Cn1ccc(-c2nc(NC(=O)OC3CCCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OC3CCOCC3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(NC(=O)OCc3ccccc3)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

The InChIKey is JGZASVXVRKNCAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25ClN8O2.C26H18ClN7O2.C25H23ClN8O2.C24H20ClN7O3.C24H20ClN7O2/c1-34-9-5-16(6-10-34)15-37-26(36)32-25-21(14-28)30-23(24(31-25)20-7-11-35(2)33-20)18-12-17-4-3-8-29-22(17)19(27)13-18;1-34-11-9-20(33-34)24-23(18-12-17-8-5-10-29-22(17)19(27)13-18)30-21(14-28)25(31-24)32-26(35)36-15-16-6-3-2-4-7-16;1-33-9-5-17(6-10-33)36-25(35)31-24-20(14-27)29-22(23(30-24)19-7-11-34(2)32-19)16-12-15-4-3-8-28-21(15)18(26)13-16;1-32-8-4-18(31-32)22-21(15-11-14-3-2-7-27-20(14)17(25)12-15)28-19(13-26)23(29-22)30-24(33)35-16-5-9-34-10-6-16;1-32-10-8-18(31-32)22-21(15-11-14-5-4-9-27-20(14)17(25)12-15)28-19(13-26)23(29-22)30-24(33)34-16-6-2-3-7-16/h3-4,7-8,11-13,16H,5-6,9-10,15H2,1-2H3,(H,31,32,36);2-13H,15H2,1H3,(H,31,32,35);3-4,7-8,11-13,17H,5-6,9-10H2,1-2H3,(H,30,31,35);2-4,7-8,11-12,16H,5-6,9-10H2,1H3,(H,29,30,33);4-5,8-12,16H,2-3,6-7H2,1H3,(H,29,30,33).

What are the key properties of benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate?

benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate has a molecular weight of 2479.74 g/mol, XLogP of 23.59, 22 rotatable bonds, 5 hydrogen bond donors, and 43 hydrogen bond acceptors.

Where does this data come from?

All data for benzyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;cyclopentyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl) N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;(1-methylpiperidin-4-yl)methyl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate;oxan-4-yl N-[5-(8-chloroquinolin-6-yl)-3-cyano-6-(1-methylpyrazol-3-yl)pyrazin-2-yl]carbamate is sourced from PubChem (CID 158913765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).