7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one

C98H98N38O5S3 — CID 159923308

About 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one (PubChem CID 159923308) has the molecular formula C98H98N38O5S3 and a molecular weight of 1984.32 g/mol. Its IUPAC name is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one.

Molecular Properties

• Compound Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one
• PubChem CID: 159923308
• Molecular Formula: C98H98N38O5S3
• Molecular Weight: 1984.32 g/mol
• Exact Mass: 1982.77
• IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one
• SMILES: Cc1cc(Nc2nc(N3CCc4ccccc4C3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)CCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)CN4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1
• InChI: InChI=1S/C23H25N7O2S.C22H25N7OS.C19H19N7.C17H15N9O.C17H14N8OS/c1-16-12-20(28-27-16)25-23-26-22(14-21-24-6-7-30(21)23)33-19-4-2-17(3-5-19)13-18(31)15-29-8-10-32-11-9-29;1-15-12-19(27-26-15)24-22-25-21(14-20-23-9-11-29(20)22)31-18-6-4-16(5-7-18)13-17(30)8-10-28(2)3;1-13-10-16(24-23-13)21-19-22-18(11-17-20-7-9-26(17)19)25-8-6-14-4-2-3-5-15(14)12-25;1-9-6-14(24-22-9)21-17-20-13(8-15-18-4-5-26(15)17)19-10-2-3-11-12(7-10)23-25-16(11)27;1-9-6-13(23-21-9)19-17-20-15(8-14-18-4-5-25(14)17)27-10-2-3-11-12(7-10)22-24-16(11)26/h2-7,12,14H,8-11,13,15H2,1H3,(H2,25,26,27,28);4-7,9,11-12,14H,8,10,13H2,1-3H3,(H2,24,25,26,27);2-5,7,9-11H,6,8,12H2,1H3,(H2,21,22,23,24);2-8,19H,1H3,(H2,23,25,27)(H2,20,21,22,24);2-8H,1H3,(H2,22,24,26)(H2,19,20,21,23)
• InChIKey: NYRPMJXBMXQNCU-UHFFFAOYSA-N
• XLogP: 15.13
• TPSA: 516.92 Ų
• H-Bond Donors: 15
• H-Bond Acceptors: 37
• Rotatable Bonds: 28
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1984.32
LogP ≤ 5	15.13
H-Bond Donors ≤ 5	15
H-Bond Acceptors ≤ 10	37

Frequently Asked Questions

What is the IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one?

The IUPAC name of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one (CID 159923308) is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one.

What is the SMILES notation for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one?

The canonical SMILES for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one is Cc1cc(Nc2nc(N3CCc4ccccc4C3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)CCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(CC(=O)CN4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1.

What is the InChIKey of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one?

The InChIKey is NYRPMJXBMXQNCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O2S.C22H25N7OS.C19H19N7.C17H15N9O.C17H14N8OS/c1-16-12-20(28-27-16)25-23-26-22(14-21-24-6-7-30(21)23)33-19-4-2-17(3-5-19)13-18(31)15-29-8-10-32-11-9-29;1-15-12-19(27-26-15)24-22-25-21(14-20-23-9-11-29(20)22)31-18-6-4-16(5-7-18)13-17(30)8-10-28(2)3;1-13-10-16(24-23-13)21-19-22-18(11-17-20-7-9-26(17)19)25-8-6-14-4-2-3-5-15(14)12-25;1-9-6-14(24-22-9)21-17-20-13(8-15-18-4-5-26(15)17)19-10-2-3-11-12(7-10)23-25-16(11)27;1-9-6-13(23-21-9)19-17-20-15(8-14-18-4-5-25(14)17)27-10-2-3-11-12(7-10)22-24-16(11)26/h2-7,12,14H,8-11,13,15H2,1H3,(H2,25,26,27,28);4-7,9,11-12,14H,8,10,13H2,1-3H3,(H2,24,25,26,27);2-5,7,9-11H,6,8,12H2,1H3,(H2,21,22,23,24);2-8,19H,1H3,(H2,23,25,27)(H2,20,21,22,24);2-8H,1H3,(H2,22,24,26)(H2,19,20,21,23).

What are the key properties of 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one?

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one has a molecular weight of 1984.32 g/mol, XLogP of 15.13, 28 rotatable bonds, 15 hydrogen bond donors, and 37 hydrogen bond acceptors.

Where does this data come from?

All data for 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;4-(dimethylamino)-1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]butan-2-one;6-[[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]amino]-1,2-dihydroindazol-3-one;6-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanyl-1,2-dihydroindazol-3-one;1-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-3-morpholin-4-ylpropan-2-one is sourced from PubChem (CID 159923308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).