N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

C28H30N10O4 — CID 118115009

About N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide

N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (PubChem CID 118115009) has the molecular formula C28H30N10O4 and a molecular weight of 570.61 g/mol. Its IUPAC name is N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.

Molecular Properties

• Compound Name: N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• PubChem CID: 118115009
• Molecular Formula: C28H30N10O4
• Molecular Weight: 570.61 g/mol
• Exact Mass: 570.25
• IUPAC Name: N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide
• SMILES: NC(=O)c1nnc(N2CCCC(NC(=O)c3ccc4nccn4c3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1
• InChI: InChI=1S/C28H30N10O4/c29-24(39)23-25(31-20-6-3-18(4-7-20)27(41)36-12-14-42-15-13-36)33-28(35-34-23)38-10-1-2-21(17-38)32-26(40)19-5-8-22-30-9-11-37(22)16-19/h3-9,11,16,21H,1-2,10,12-15,17H2,(H2,29,39)(H,32,40)(H,31,33,35)
• InChIKey: ZCBPZLPPSOSUSF-UHFFFAOYSA-N
• XLogP: 1.23
• TPSA: 172.97 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 11
• Rotatable Bonds: 7
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	570.61
LogP ≤ 5	1.23
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	11

Frequently Asked Questions

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

The IUPAC name of N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide (CID 118115009) is N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide.

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

The canonical SMILES for N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is NC(=O)c1nnc(N2CCCC(NC(=O)c3ccc4nccn4c3)C2)nc1Nc1ccc(C(=O)N2CCOCC2)cc1.

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

The InChIKey is ZCBPZLPPSOSUSF-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H30N10O4/c29-24(39)23-25(31-20-6-3-18(4-7-20)27(41)36-12-14-42-15-13-36)33-28(35-34-23)38-10-1-2-21(17-38)32-26(40)19-5-8-22-30-9-11-37(22)16-19/h3-9,11,16,21H,1-2,10,12-15,17H2,(H2,29,39)(H,32,40)(H,31,33,35).

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

N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide has a molecular weight of 570.61 g/mol, XLogP of 1.23, 7 rotatable bonds, 3 hydrogen bond donors, and 11 hydrogen bond acceptors.

Where does this data come from?

All data for N-[1-[6-carbamoyl-5-[4-(morpholine-4-carbonyl)anilino]-1,2,4-triazin-3-yl]piperidin-3-yl]imidazo[1,2-a]pyridine-6-carboxamide is sourced from PubChem (CID 118115009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).