3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine

C99H87Cl4N37O3 — CID 158171776

About 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine

3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine (PubChem CID 158171776) has the molecular formula C99H87Cl4N37O3 and a molecular weight of 1984.85 g/mol. Its IUPAC name is 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine.

Molecular Properties

• Compound Name: 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine
• PubChem CID: 158171776
• Molecular Formula: C99H87Cl4N37O3
• Molecular Weight: 1984.85 g/mol
• Exact Mass: 1981.65
• IUPAC Name: 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine
• SMILES: Cc1ccn(-c2nc(N)c(C3COC3)nc2-c2ccc3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(N3CCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(-n3ccccc3=O)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(N3CCCC3=O)nc2-c2cc(Cl)c3[nH]ncc3c2)n1
• InChI: InChI=1S/C22H16ClN7O.C20H19ClN8.C20H18N6O.C19H17ClN8O.C18H17ClN8/c1-29-10-7-16(28-29)20-19(14-11-13-5-4-8-25-18(13)15(23)12-14)27-22(21(24)26-20)30-9-3-2-6-17(30)31;1-11-4-6-29(27-11)19-17(25-20(18(23)26-19)28-9-14(22)10-28)13-7-12-3-2-5-24-16(12)15(21)8-13;1-12-6-8-26(25-12)20-18(23-17(19(21)24-20)15-10-27-11-15)14-4-5-16-13(9-14)3-2-7-22-16;1-27-6-4-13(26-27)17-16(10-7-11-9-22-25-15(11)12(20)8-10)24-19(18(21)23-17)28-5-2-3-14(28)29;1-10-3-6-27(25-10)17-15(22-18(16(20)23-17)26-4-2-5-26)11-7-12-9-21-24-14(12)13(19)8-11/h2-12H,1H3,(H2,24,26);2-8,14H,9-10,22H2,1H3,(H2,23,26);2-9,15H,10-11H2,1H3,(H2,21,24);4,6-9H,2-3,5H2,1H3,(H2,21,23)(H,22,25);3,6-9H,2,4-5H2,1H3,(H2,20,23)(H,21,24)
• InChIKey: FXNQVBHAONCVNI-UHFFFAOYSA-N
• XLogP: 14.67
• TPSA: 528.17 Ų
• H-Bond Donors: 8
• H-Bond Acceptors: 37
• Rotatable Bonds: 15
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.85
LogP ≤ 5	14.67
H-Bond Donors ≤ 5	8
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine?

The IUPAC name of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine (CID 158171776) is 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine.

What is the SMILES notation for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine?

The canonical SMILES for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine is Cc1ccn(-c2nc(N)c(C3COC3)nc2-c2ccc3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(N3CC(N)C3)nc2-c2cc(Cl)c3ncccc3c2)n1.Cc1ccn(-c2nc(N)c(N3CCC3)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.Cn1ccc(-c2nc(N)c(-n3ccccc3=O)nc2-c2cc(Cl)c3ncccc3c2)n1.Cn1ccc(-c2nc(N)c(N3CCCC3=O)nc2-c2cc(Cl)c3[nH]ncc3c2)n1.

What is the InChIKey of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine?

The InChIKey is FXNQVBHAONCVNI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16ClN7O.C20H19ClN8.C20H18N6O.C19H17ClN8O.C18H17ClN8/c1-29-10-7-16(28-29)20-19(14-11-13-5-4-8-25-18(13)15(23)12-14)27-22(21(24)26-20)30-9-3-2-6-17(30)31;1-11-4-6-29(27-11)19-17(25-20(18(23)26-19)28-9-14(22)10-28)13-7-12-3-2-5-24-16(12)15(21)8-13;1-12-6-8-26(25-12)20-18(23-17(19(21)24-20)15-10-27-11-15)14-4-5-16-13(9-14)3-2-7-22-16;1-27-6-4-13(26-27)17-16(10-7-11-9-22-25-15(11)12(20)8-10)24-19(18(21)23-17)28-5-2-3-14(28)29;1-10-3-6-27(25-10)17-15(22-18(16(20)23-17)26-4-2-5-26)11-7-12-9-21-24-14(12)13(19)8-11/h2-12H,1H3,(H2,24,26);2-8,14H,9-10,22H2,1H3,(H2,23,26);2-9,15H,10-11H2,1H3,(H2,21,24);4,6-9H,2-3,5H2,1H3,(H2,21,23)(H,22,25);3,6-9H,2,4-5H2,1H3,(H2,20,23)(H,21,24).

What are the key properties of 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine?

3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine has a molecular weight of 1984.85 g/mol, XLogP of 14.67, 15 rotatable bonds, 8 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(3-aminoazetidin-1-yl)-5-(8-chloroquinolin-6-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;1-[3-amino-6-(7-chloro-1H-indazol-5-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyrrolidin-2-one;1-[3-amino-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazin-2-yl]pyridin-2-one;3-(azetidin-1-yl)-5-(7-chloro-1H-indazol-5-yl)-6-(3-methylpyrazol-1-yl)pyrazin-2-amine;6-(3-methylpyrazol-1-yl)-3-(oxetan-3-yl)-5-quinolin-6-ylpyrazin-2-amine is sourced from PubChem (CID 158171776), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).