3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile

C112H94Cl5N35O4 — CID 159257704

About 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile

3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile (PubChem CID 159257704) has the molecular formula C112H94Cl5N35O4 and a molecular weight of 2171.49 g/mol. Its IUPAC name is 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile.

Molecular Properties

• Compound Name: 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile
• PubChem CID: 159257704
• Molecular Formula: C112H94Cl5N35O4
• Molecular Weight: 2171.49 g/mol
• Exact Mass: 2167.67
• IUPAC Name: 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile
• SMILES: CC(C)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCNc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.N#Cc1ccc(NC(=O)CCNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)cn1.O=C(CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CC1
• InChI: InChI=1S/C26H19ClN8O2.C23H21ClN6O2.C22H20ClN7.C21H18ClN7.C20H16ClN7/c27-20-11-16(10-17-13-31-35-22(17)20)24-23(15-4-2-1-3-5-15)33-25(26(37)34-24)29-9-8-21(36)32-19-7-6-18(12-28)30-14-19;24-17-11-14(10-15-12-26-30-19(15)17)21-20(13-4-2-1-3-5-13)28-22(23(32)29-21)25-9-8-18(31)27-16-6-7-16;1-22(2,3)28-21-17(12-24)26-19(20(27-21)16-7-9-30(4)29-16)14-10-13-6-5-8-25-18(13)15(23)11-14;1-12(2)25-21-17(11-23)26-19(20(27-21)16-6-8-29(3)28-16)14-9-13-5-4-7-24-18(13)15(22)10-14;1-3-23-20-16(11-22)25-18(19(26-20)15-6-8-28(2)27-15)13-9-12-5-4-7-24-17(12)14(21)10-13/h1-7,10-11,13-14H,8-9H2,(H,29,33)(H,31,35)(H,32,36)(H,34,37);1-5,10-12,16H,6-9H2,(H,25,28)(H,26,30)(H,27,31)(H,29,32);5-11H,1-4H3,(H,27,28);4-10,12H,1-3H3,(H,25,27);4-10H,3H2,1-2H3,(H,23,26)
• InChIKey: KWCNIJPQRKKDDF-UHFFFAOYSA-N
• XLogP: 21.37
• TPSA: 544.73 Ų
• H-Bond Donors: 11
• H-Bond Acceptors: 33
• Rotatable Bonds: 25
• Heavy Atoms: 156
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	2171.49
LogP ≤ 5	21.37
H-Bond Donors ≤ 5	11
H-Bond Acceptors ≤ 10	33

Frequently Asked Questions

What is the IUPAC name of 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile?

The IUPAC name of 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile (CID 159257704) is 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile.

What is the SMILES notation for 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile?

The canonical SMILES for 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile is CC(C)Nc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.CCNc1nc(-c2ccn(C)n2)c(-c2cc(Cl)c3ncccc3c2)nc1C#N.Cn1ccc(-c2nc(NC(C)(C)C)c(C#N)nc2-c2cc(Cl)c3ncccc3c2)n1.N#Cc1ccc(NC(=O)CCNc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)cn1.O=C(CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O)NC1CC1.

What is the InChIKey of 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile?

The InChIKey is KWCNIJPQRKKDDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H19ClN8O2.C23H21ClN6O2.C22H20ClN7.C21H18ClN7.C20H16ClN7/c27-20-11-16(10-17-13-31-35-22(17)20)24-23(15-4-2-1-3-5-15)33-25(26(37)34-24)29-9-8-21(36)32-19-7-6-18(12-28)30-14-19;24-17-11-14(10-15-12-26-30-19(15)17)21-20(13-4-2-1-3-5-13)28-22(23(32)29-21)25-9-8-18(31)27-16-6-7-16;1-22(2,3)28-21-17(12-24)26-19(20(27-21)16-7-9-30(4)29-16)14-10-13-6-5-8-25-18(13)15(23)11-14;1-12(2)25-21-17(11-23)26-19(20(27-21)16-6-8-29(3)28-16)14-9-13-5-4-7-24-18(13)15(22)10-14;1-3-23-20-16(11-22)25-18(19(26-20)15-6-8-28(2)27-15)13-9-12-5-4-7-24-17(12)14(21)10-13/h1-7,10-11,13-14H,8-9H2,(H,29,33)(H,31,35)(H,32,36)(H,34,37);1-5,10-12,16H,6-9H2,(H,25,28)(H,26,30)(H,27,31)(H,29,32);5-11H,1-4H3,(H,27,28);4-10,12H,1-3H3,(H,25,27);4-10H,3H2,1-2H3,(H,23,26).

What are the key properties of 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile?

3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile has a molecular weight of 2171.49 g/mol, XLogP of 21.37, 25 rotatable bonds, 11 hydrogen bond donors, and 33 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(tert-butylamino)-6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-(6-cyano-3-pyridinyl)propanamide;3-[[6-(7-chloro-1H-indazol-5-yl)-2-oxo-5-phenyl-1H-pyrazin-3-yl]amino]-N-cyclopropylpropanamide;6-(8-chloroquinolin-6-yl)-3-(ethylamino)-5-(1-methylpyrazol-3-yl)pyrazine-2-carbonitrile;6-(8-chloroquinolin-6-yl)-5-(1-methylpyrazol-3-yl)-3-(propan-2-ylamino)pyrazine-2-carbonitrile is sourced from PubChem (CID 159257704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).