N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

C29H32N8O3 — CID 118115265

About N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118115265) has the molecular formula C29H32N8O3 and a molecular weight of 540.63 g/mol. Its IUPAC name is N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118115265
• Molecular Formula: C29H32N8O3
• Molecular Weight: 540.63 g/mol
• Exact Mass: 540.26
• IUPAC Name: N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: NC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3ccc4nccn4c3)C2)nc1Nc1ccc(C2CCOCC2)cc1
• InChI: InChI=1S/C29H32N8O3/c30-27(38)26-28(33-22-6-3-19(4-7-22)20-9-14-40-15-10-20)35-25(16-32-26)36-12-1-2-23(18-36)34-29(39)21-5-8-24-31-11-13-37(24)17-21/h3-8,11,13,16-17,20,23H,1-2,9-10,12,14-15,18H2,(H2,30,38)(H,33,35)(H,34,39)/t23-/m1/s1
• InChIKey: LUIXLONJINHXKS-HSZRJFAPSA-N
• XLogP: 3.26
• TPSA: 139.77 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 9
• Rotatable Bonds: 7
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	540.63
LogP ≤ 5	3.26
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The IUPAC name of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118115265) is N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.

What is the SMILES notation for N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The canonical SMILES for N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is NC(=O)c1ncc(N2CCC[C@@H](NC(=O)c3ccc4nccn4c3)C2)nc1Nc1ccc(C2CCOCC2)cc1.

What is the InChIKey of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?

The InChIKey is LUIXLONJINHXKS-HSZRJFAPSA-N. The full InChI is InChI=1S/C29H32N8O3/c30-27(38)26-28(33-22-6-3-19(4-7-22)20-9-14-40-15-10-20)35-25(16-32-26)36-12-1-2-23(18-36)34-29(39)21-5-8-24-31-11-13-37(24)17-21/h3-8,11,13,16-17,20,23H,1-2,9-10,12,14-15,18H2,(H2,30,38)(H,33,35)(H,34,39)/t23-/m1/s1.

What are the key properties of N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide?

N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 540.63 g/mol, XLogP of 3.26, 7 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3R)-1-[5-carbamoyl-6-[4-(oxan-4-yl)anilino]pyrazin-2-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118115265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).