N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one

C55H69N15O3 — CID 90096228

About N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one

N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one (PubChem CID 90096228) has the molecular formula C55H69N15O3 and a molecular weight of 988.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one.

Molecular Properties

• Compound Name: N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one
• PubChem CID: 90096228
• Molecular Formula: C55H69N15O3
• Molecular Weight: 988.26 g/mol
• Exact Mass: 987.57
• IUPAC Name: N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one
• SMILES: CC(C)N1c2nc(-c3c[nH]c4ccc(-c5cnn(C6CCNCC6)c5)cc34)cc(=O)n2CC1(C)C.CC(C)N1c2nc(-c3c[nH]c4ccc(-c5cnn(CC(=O)NCCN(C)C)c5)cc34)cc(=O)n2CC1(C)C
• InChI: InChI=1S/C28H36N8O2.C27H33N7O/c1-18(2)36-27-32-24(12-26(38)35(27)17-28(36,3)4)22-14-30-23-8-7-19(11-21(22)23)20-13-31-34(15-20)16-25(37)29-9-10-33(5)6;1-17(2)34-26-31-24(12-25(35)32(26)16-27(34,3)4)22-14-29-23-6-5-18(11-21(22)23)19-13-30-33(15-19)20-7-9-28-10-8-20/h7-8,11-15,18,30H,9-10,16-17H2,1-6H3,(H,29,37);5-6,11-15,17,20,28-29H,7-10,16H2,1-4H3
• InChIKey: KBNCIMXHQFPCFL-UHFFFAOYSA-N
• XLogP: 7.13
• TPSA: 187.85 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 15
• Rotatable Bonds: 12
• Heavy Atoms: 73
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	988.26
LogP ≤ 5	7.13
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	15

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?

The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one (CID 90096228) is N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one.

What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?

The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one is CC(C)N1c2nc(-c3c[nH]c4ccc(-c5cnn(C6CCNCC6)c5)cc34)cc(=O)n2CC1(C)C.CC(C)N1c2nc(-c3c[nH]c4ccc(-c5cnn(CC(=O)NCCN(C)C)c5)cc34)cc(=O)n2CC1(C)C.

What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?

The InChIKey is KBNCIMXHQFPCFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H36N8O2.C27H33N7O/c1-18(2)36-27-32-24(12-26(38)35(27)17-28(36,3)4)22-14-30-23-8-7-19(11-21(22)23)20-13-31-34(15-20)16-25(37)29-9-10-33(5)6;1-17(2)34-26-31-24(12-25(35)32(26)16-27(34,3)4)22-14-29-23-6-5-18(11-21(22)23)19-13-30-33(15-19)20-7-9-28-10-8-20/h7-8,11-15,18,30H,9-10,16-17H2,1-6H3,(H,29,37);5-6,11-15,17,20,28-29H,7-10,16H2,1-4H3.

What are the key properties of N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one?

N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one has a molecular weight of 988.26 g/mol, XLogP of 7.13, 12 rotatable bonds, 4 hydrogen bond donors, and 15 hydrogen bond acceptors.

Where does this data come from?

All data for N-[2-(dimethylamino)ethyl]-2-[4-[3-(2,2-dimethyl-5-oxo-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-7-yl)-1H-indol-5-yl]pyrazol-1-yl]acetamide;2,2-dimethyl-7-[5-(1-piperidin-4-ylpyrazol-4-yl)-1H-indol-3-yl]-1-propan-2-yl-3H-imidazo[1,2-a]pyrimidin-5-one is sourced from PubChem (CID 90096228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).