3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one

C106H90Cl5N27O5 — CID 157214438

About 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one

3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one (PubChem CID 157214438) has the molecular formula C106H90Cl5N27O5 and a molecular weight of 1999.33 g/mol. Its IUPAC name is 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one.

Molecular Properties

• Compound Name: 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one
• PubChem CID: 157214438
• Molecular Formula: C106H90Cl5N27O5
• Molecular Weight: 1999.33 g/mol
• Exact Mass: 1995.61
• IUPAC Name: 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one
• SMILES: C#CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.C=CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CC#CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1.CN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1
• InChI: InChI=1S/C23H23ClN6O.C22H21ClN6O.C21H16ClN5O.C20H16ClN5O.C20H14ClN5O/c1-30-9-7-17(8-10-30)26-22-23(31)28-21(20(27-22)14-5-3-2-4-6-14)15-11-16-13-25-29-19(16)18(24)12-15;1-29-8-7-16(12-29)25-21-22(30)27-20(19(26-21)13-5-3-2-4-6-13)14-9-15-11-24-28-18(15)17(23)10-14;1-2-3-9-23-20-21(28)26-19(18(25-20)13-7-5-4-6-8-13)14-10-15-12-24-27-17(15)16(22)11-14;2*1-2-8-22-19-20(27)25-18(17(24-19)12-6-4-3-5-7-12)13-9-14-11-23-26-16(14)15(21)10-13/h2-6,11-13,17H,7-10H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-6,9-11,16H,7-8,12H2,1H3,(H,24,28)(H,25,26)(H,27,30);4-8,10-12H,9H2,1H3,(H,23,25)(H,24,27)(H,26,28);2-7,9-11H,1,8H2,(H,22,24)(H,23,26)(H,25,27);1,3-7,9-11H,8H2,(H,22,24)(H,23,26)(H,25,27)
• InChIKey: ASGHFQSMBKXIDD-UHFFFAOYSA-N
• XLogP: 19.87
• TPSA: 438.78 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 22
• Rotatable Bonds: 21
• Heavy Atoms: 143
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1999.33
LogP ≤ 5	19.87
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	22

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'isolated_alkene', 'substructure': 'N/A'}, {'alert_name': 'triple_bond', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one?

The IUPAC name of 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one (CID 157214438) is 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one.

What is the SMILES notation for 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one?

The canonical SMILES for 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one is C#CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.C=CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CC#CCNc1nc(-c2ccccc2)c(-c2cc(Cl)c3[nH]ncc3c2)[nH]c1=O.CN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)C1.CN1CCC(Nc2nc(-c3ccccc3)c(-c3cc(Cl)c4[nH]ncc4c3)[nH]c2=O)CC1.

What is the InChIKey of 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one?

The InChIKey is ASGHFQSMBKXIDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23ClN6O.C22H21ClN6O.C21H16ClN5O.C20H16ClN5O.C20H14ClN5O/c1-30-9-7-17(8-10-30)26-22-23(31)28-21(20(27-22)14-5-3-2-4-6-14)15-11-16-13-25-29-19(16)18(24)12-15;1-29-8-7-16(12-29)25-21-22(30)27-20(19(26-21)13-5-3-2-4-6-13)14-9-15-11-24-28-18(15)17(23)10-14;1-2-3-9-23-20-21(28)26-19(18(25-20)13-7-5-4-6-8-13)14-10-15-12-24-27-17(15)16(22)11-14;2*1-2-8-22-19-20(27)25-18(17(24-19)12-6-4-3-5-7-12)13-9-14-11-23-26-16(14)15(21)10-13/h2-6,11-13,17H,7-10H2,1H3,(H,25,29)(H,26,27)(H,28,31);2-6,9-11,16H,7-8,12H2,1H3,(H,24,28)(H,25,26)(H,27,30);4-8,10-12H,9H2,1H3,(H,23,25)(H,24,27)(H,26,28);2-7,9-11H,1,8H2,(H,22,24)(H,23,26)(H,25,27);1,3-7,9-11H,8H2,(H,22,24)(H,23,26)(H,25,27).

What are the key properties of 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one?

3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one has a molecular weight of 1999.33 g/mol, XLogP of 19.87, 21 rotatable bonds, 15 hydrogen bond donors, and 22 hydrogen bond acceptors.

Where does this data come from?

All data for 3-(but-2-ynylamino)-6-(7-chloro-1H-indazol-5-yl)-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpiperidin-4-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-3-[(1-methylpyrrolidin-3-yl)amino]-5-phenyl-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-enylamino)-1H-pyrazin-2-one;6-(7-chloro-1H-indazol-5-yl)-5-phenyl-3-(prop-2-ynylamino)-1H-pyrazin-2-one is sourced from PubChem (CID 157214438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).