1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

C124H99Cl5FN31O5S — CID 158728941

About 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine

1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (PubChem CID 158728941) has the molecular formula C124H99Cl5FN31O5S and a molecular weight of 2331.70 g/mol. Its IUPAC name is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.

Molecular Properties

• Compound Name: 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
• PubChem CID: 158728941
• Molecular Formula: C124H99Cl5FN31O5S
• Molecular Weight: 2331.70 g/mol
• Exact Mass: 2327.66
• IUPAC Name: 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine
• SMILES: Cc1ccn(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1
• InChI: InChI=1S/2C26H21ClN6O.C26H20ClN5OS.C24H20ClN7O.C22H17ClFN7O/c1-33-11-9-21(32-33)25-24(18-13-17-8-5-10-29-23(17)20(27)14-18)30-22(26(28)31-25)15-19(34)12-16-6-3-2-4-7-16;1-16-9-11-33(32-16)26-24(19-13-18-8-5-10-29-23(18)21(27)14-19)30-22(25(28)31-26)15-20(34)12-17-6-3-2-4-7-17;1-15-30-14-22(34-15)25-24(18-11-17-8-5-9-29-23(17)20(27)12-18)31-21(26(28)32-25)13-19(33)10-16-6-3-2-4-7-16;1-32-8-7-19(31-32)23-22(15-10-16-13-27-30-21(16)18(25)11-15)28-20(24(26)29-23)12-17(33)9-14-5-3-2-4-6-14;1-31-7-6-16(30-31)20-18(13-8-15(23)19-17(9-13)32-11-27-19)29-22(21(25)28-20)26-10-12-2-4-14(24)5-3-12/h2*2-11,13-14H,12,15H2,1H3,(H2,28,31);2-9,11-12,14H,10,13H2,1H3,(H2,28,32);2-8,10-11,13H,9,12H2,1H3,(H2,26,29)(H,27,30);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29)
• InChIKey: IKVWWQWCFYMGSZ-UHFFFAOYSA-N
• XLogP: 23.85
• TPSA: 516.86 Ų
• H-Bond Donors: 7
• H-Bond Acceptors: 36
• Rotatable Bonds: 29
• Heavy Atoms: 167
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2331.70
LogP ≤ 5	23.85
H-Bond Donors ≤ 5	7
H-Bond Acceptors ≤ 10	36

Frequently Asked Questions

What is the IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

The IUPAC name of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine (CID 158728941) is 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine.

What is the SMILES notation for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

The canonical SMILES for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is Cc1ccn(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ncc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)s1.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(CC(=O)Cc3ccccc3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(NCc3ccc(F)cc3)nc2-c2cc(Cl)c3ncoc3c2)n1.

What is the InChIKey of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

The InChIKey is IKVWWQWCFYMGSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/2C26H21ClN6O.C26H20ClN5OS.C24H20ClN7O.C22H17ClFN7O/c1-33-11-9-21(32-33)25-24(18-13-17-8-5-10-29-23(17)20(27)14-18)30-22(26(28)31-25)15-19(34)12-16-6-3-2-4-7-16;1-16-9-11-33(32-16)26-24(19-13-18-8-5-10-29-23(18)21(27)14-19)30-22(25(28)31-26)15-20(34)12-17-6-3-2-4-7-17;1-15-30-14-22(34-15)25-24(18-11-17-8-5-9-29-23(17)20(27)12-18)31-21(26(28)32-25)13-19(33)10-16-6-3-2-4-7-16;1-32-8-7-19(31-32)23-22(15-10-16-13-27-30-21(16)18(25)11-15)28-20(24(26)29-23)12-17(33)9-14-5-3-2-4-6-14;1-31-7-6-16(30-31)20-18(13-8-15(23)19-17(9-13)32-11-27-19)29-22(21(25)28-20)26-10-12-2-4-14(24)5-3-12/h2*2-11,13-14H,12,15H2,1H3,(H2,28,31);2-9,11-12,14H,10,13H2,1H3,(H2,28,32);2-8,10-11,13H,9,12H2,1H3,(H2,26,29)(H,27,30);2-9,11H,10H2,1H3,(H2,25,28)(H,26,29).

What are the key properties of 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine?

1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine has a molecular weight of 2331.70 g/mol, XLogP of 23.85, 29 rotatable bonds, 7 hydrogen bond donors, and 36 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(3-methylpyrazol-1-yl)pyrazin-2-yl]-3-phenylpropan-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(2-methyl-1,3-thiazol-5-yl)pyrazin-2-yl]-3-phenylpropan-2-one;5-(4-chloro-1,3-benzoxazol-6-yl)-3-N-[(4-fluorophenyl)methyl]-6-(1-methylpyrazol-3-yl)pyrazine-2,3-diamine is sourced from PubChem (CID 158728941), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).