1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea

C96H94Cl4N34O7 — CID 157173723

About 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea (PubChem CID 157173723) has the molecular formula C96H94Cl4N34O7 and a molecular weight of 1977.85 g/mol. Its IUPAC name is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea.

Molecular Properties

• Compound Name: 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
• PubChem CID: 157173723
• Molecular Formula: C96H94Cl4N34O7
• Molecular Weight: 1977.85 g/mol
• Exact Mass: 1974.68
• IUPAC Name: 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea
• SMILES: CN1CC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3cnn(C)c3)nc2N)CC1=O.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NCC3CCOCC3)nc2-c2cc(Cl)c3ncccc3c2)n1
• InChI: InChI=1S/C26H23ClN8O2.C24H25ClN8O2.C23H22ClN9O2.C23H24ClN9O/c1-35-11-9-20(34-35)23-22(17-12-16-4-3-10-29-21(16)19(27)13-17)32-25(24(28)31-23)33-26(36)30-14-15-5-7-18(37-2)8-6-15;1-33-8-4-18(32-33)21-20(16-11-15-3-2-7-27-19(15)17(25)12-16)30-23(22(26)29-21)31-24(34)28-13-14-5-9-35-10-6-14;1-32-11-15(8-17(32)34)28-23(35)31-22-21(25)29-20(14-9-27-33(2)10-14)19(30-22)13-6-12-4-3-5-26-18(12)16(24)7-13;1-32-11-13(12-32)10-27-23(34)30-22-21(25)28-20(17-5-7-33(2)31-17)19(29-22)15-8-14-4-3-6-26-18(14)16(24)9-15/h3-13H,14H2,1-2H3,(H2,28,31)(H2,30,32,33,36);2-4,7-8,11-12,14H,5-6,9-10,13H2,1H3,(H2,26,29)(H2,28,30,31,34);3-7,9-10,15H,8,11H2,1-2H3,(H2,25,29)(H2,28,30,31,35);3-9,13H,10-12H2,1-2H3,(H2,25,28)(H2,27,29,30,34)
• InChIKey: ANTOFAXPFRVPBX-UHFFFAOYSA-N
• XLogP: 14.23
• TPSA: 536.57 Ų
• H-Bond Donors: 12
• H-Bond Acceptors: 32
• Rotatable Bonds: 20
• Heavy Atoms: 141
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1977.85
LogP ≤ 5	14.23
H-Bond Donors ≤ 5	12
H-Bond Acceptors ≤ 10	32

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea?

The IUPAC name of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea (CID 157173723) is 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea.

What is the SMILES notation for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea?

The canonical SMILES for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea is CN1CC(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)C1.CN1CC(NC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3cnn(C)c3)nc2N)CC1=O.COc1ccc(CNC(=O)Nc2nc(-c3cc(Cl)c4ncccc4c3)c(-c3ccn(C)n3)nc2N)cc1.Cn1ccc(-c2nc(N)c(NC(=O)NCC3CCOCC3)nc2-c2cc(Cl)c3ncccc3c2)n1.

What is the InChIKey of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea?

The InChIKey is ANTOFAXPFRVPBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23ClN8O2.C24H25ClN8O2.C23H22ClN9O2.C23H24ClN9O/c1-35-11-9-20(34-35)23-22(17-12-16-4-3-10-29-21(16)19(27)13-17)32-25(24(28)31-23)33-26(36)30-14-15-5-7-18(37-2)8-6-15;1-33-8-4-18(32-33)21-20(16-11-15-3-2-7-27-19(15)17(25)12-16)30-23(22(26)29-21)31-24(34)28-13-14-5-9-35-10-6-14;1-32-11-15(8-17(32)34)28-23(35)31-22-21(25)29-20(14-9-27-33(2)10-14)19(30-22)13-6-12-4-3-5-26-18(12)16(24)7-13;1-32-11-13(12-32)10-27-23(34)30-22-21(25)28-20(17-5-7-33(2)31-17)19(29-22)15-8-14-4-3-6-26-18(14)16(24)9-15/h3-13H,14H2,1-2H3,(H2,28,31)(H2,30,32,33,36);2-4,7-8,11-12,14H,5-6,9-10,13H2,1H3,(H2,26,29)(H2,28,30,31,34);3-7,9-10,15H,8,11H2,1-2H3,(H2,25,29)(H2,28,30,31,35);3-9,13H,10-12H2,1-2H3,(H2,25,28)(H2,27,29,30,34).

What are the key properties of 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea?

1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea has a molecular weight of 1977.85 g/mol, XLogP of 14.23, 20 rotatable bonds, 12 hydrogen bond donors, and 32 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(4-methoxyphenyl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-[(1-methylazetidin-3-yl)methyl]urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-4-yl)pyrazin-2-yl]-3-(1-methyl-5-oxopyrrolidin-3-yl)urea;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-(oxan-4-ylmethyl)urea is sourced from PubChem (CID 157173723), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).