7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide

C96H96N40O5S3 — CID 158288770

About 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide (PubChem CID 158288770) has the molecular formula C96H96N40O5S3 and a molecular weight of 1986.30 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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide.

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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide
• PubChem CID: 158288770
• Molecular Formula: C96H96N40O5S3
• Molecular Weight: 1986.30 g/mol
• Exact Mass: 1984.76
• IUPAC Name: 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide
• SMILES: Cc1cc(Nc2nc(N3CCc4ccccc4C3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)CCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)CN4CCOCC4)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1
• InChI: InChI=1S/C22H24N8O2S.C21H24N8OS.C19H19N7.C17H15N9O.C17H14N8OS/c1-15-12-18(28-27-15)25-22-26-21(13-19-23-6-7-30(19)22)33-17-4-2-16(3-5-17)24-20(31)14-29-8-10-32-11-9-29;1-14-12-17(27-26-14)24-21-25-20(13-18-22-9-11-29(18)21)31-16-6-4-15(5-7-16)23-19(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/h2-7,12-13H,8-11,14H2,1H3,(H,24,31)(H2,25,26,27,28);4-7,9,11-13H,8,10H2,1-3H3,(H,23,30)(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: GLCHZTSOONYZOK-UHFFFAOYSA-N
• XLogP: 14.78
• TPSA: 540.98 Ų
• H-Bond Donors: 17
• H-Bond Acceptors: 37
• Rotatable Bonds: 26
• Heavy Atoms: 144
• Complexity: —

Lipinski Rule of Five

4 violations

Rule	Value
MW ≤ 500	1986.30
LogP ≤ 5	14.78
H-Bond Donors ≤ 5	17
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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide?

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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide (CID 158288770) is 7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide.

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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide?

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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide is Cc1cc(Nc2nc(N3CCc4ccccc4C3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Nc3ccc4c(=O)[nH][nH]c4c3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=O)CCN(C)C)cc3)cc3nccn23)n[nH]1.Cc1cc(Nc2nc(Sc3ccc(NC(=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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide?

The InChIKey is GLCHZTSOONYZOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O2S.C21H24N8OS.C19H19N7.C17H15N9O.C17H14N8OS/c1-15-12-18(28-27-15)25-22-26-21(13-19-23-6-7-30(19)22)33-17-4-2-16(3-5-17)24-20(31)14-29-8-10-32-11-9-29;1-14-12-17(27-26-14)24-21-25-20(13-18-22-9-11-29(18)21)31-16-6-4-15(5-7-16)23-19(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/h2-7,12-13H,8-11,14H2,1H3,(H,24,31)(H2,25,26,27,28);4-7,9,11-13H,8,10H2,1-3H3,(H,23,30)(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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide?

7-(3,4-dihydro-1H-isoquinolin-2-yl)-N-(5-methyl-1H-pyrazol-3-yl)imidazo[1,2-c]pyrimidin-5-amine;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide has a molecular weight of 1986.30 g/mol, XLogP of 14.78, 26 rotatable bonds, 17 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;3-(dimethylamino)-N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]propanamide;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;N-[4-[5-[(5-methyl-1H-pyrazol-3-yl)amino]imidazo[1,2-c]pyrimidin-7-yl]sulfanylphenyl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 158288770), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).