6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

C27H34N8O4 — CID 59258757

About 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide

6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 59258757) has the molecular formula C27H34N8O4 and a molecular weight of 534.62 g/mol. Its IUPAC name is 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

• Compound Name: 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
• PubChem CID: 59258757
• Molecular Formula: C27H34N8O4
• Molecular Weight: 534.62 g/mol
• Exact Mass: 534.27
• IUPAC Name: 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide
• SMILES: Cc1[nH]c2ccc(NC(=O)c3cc(NCC(=O)N4CCC(C(N)=O)CC4)nc(N4CCOCC4)n3)cc2c1C
• InChI: InChI=1S/C27H34N8O4/c1-16-17(2)30-21-4-3-19(13-20(16)21)31-26(38)22-14-23(33-27(32-22)35-9-11-39-12-10-35)29-15-24(36)34-7-5-18(6-8-34)25(28)37/h3-4,13-14,18,30H,5-12,15H2,1-2H3,(H2,28,37)(H,31,38)(H,29,32,33)
• InChIKey: VLGVHSMULFAYTC-UHFFFAOYSA-N
• XLogP: 1.80
• TPSA: 158.57 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	534.62
LogP ≤ 5	1.80
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

The IUPAC name of 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide (CID 59258757) is 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide.

What is the SMILES notation for 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

The canonical SMILES for 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is Cc1[nH]c2ccc(NC(=O)c3cc(NCC(=O)N4CCC(C(N)=O)CC4)nc(N4CCOCC4)n3)cc2c1C.

What is the InChIKey of 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

The InChIKey is VLGVHSMULFAYTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H34N8O4/c1-16-17(2)30-21-4-3-19(13-20(16)21)31-26(38)22-14-23(33-27(32-22)35-9-11-39-12-10-35)29-15-24(36)34-7-5-18(6-8-34)25(28)37/h3-4,13-14,18,30H,5-12,15H2,1-2H3,(H2,28,37)(H,31,38)(H,29,32,33).

What are the key properties of 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide?

6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 534.62 g/mol, XLogP of 1.80, 7 rotatable bonds, 4 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[[2-(4-carbamoylpiperidin-1-yl)-2-oxoethyl]amino]-N-(2,3-dimethyl-1H-indol-5-yl)-2-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 59258757), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).