N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine

C29H35N7O2 — CID 144737967

About N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine

N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine (PubChem CID 144737967) has the molecular formula C29H35N7O2 and a molecular weight of 513.65 g/mol. Its IUPAC name is N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine.

Molecular Properties

• Compound Name: N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine
• PubChem CID: 144737967
• Molecular Formula: C29H35N7O2
• Molecular Weight: 513.65 g/mol
• Exact Mass: 513.29
• IUPAC Name: N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine
• SMILES: CC/C=C/c1cnc2ccc(N3CC[C@H](NC(=O)c4cc(C)c(C)n(CC)c4=O)C3)nn12.c1ccncc1
• InChI: InChI=1S/C24H30N6O2.C5H5N/c1-5-7-8-19-14-25-21-9-10-22(27-30(19)21)28-12-11-18(15-28)26-23(31)20-13-16(3)17(4)29(6-2)24(20)32;1-2-4-6-5-3-1/h7-10,13-14,18H,5-6,11-12,15H2,1-4H3,(H,26,31);1-5H/b8-7+;/t18-;/m0./s1
• InChIKey: WHEMMHNGSALMDS-DIVUXNHZSA-N
• XLogP: 4.04
• TPSA: 97.42 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 38
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	513.65
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine?

The IUPAC name of N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine (CID 144737967) is N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine.

What is the SMILES notation for N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine?

The canonical SMILES for N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine is CC/C=C/c1cnc2ccc(N3CC[C@H](NC(=O)c4cc(C)c(C)n(CC)c4=O)C3)nn12.c1ccncc1.

What is the InChIKey of N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine?

The InChIKey is WHEMMHNGSALMDS-DIVUXNHZSA-N. The full InChI is InChI=1S/C24H30N6O2.C5H5N/c1-5-7-8-19-14-25-21-9-10-22(27-30(19)21)28-12-11-18(15-28)26-23(31)20-13-16(3)17(4)29(6-2)24(20)32;1-2-4-6-5-3-1/h7-10,13-14,18H,5-6,11-12,15H2,1-4H3,(H,26,31);1-5H/b8-7+;/t18-;/m0./s1.

What are the key properties of N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine?

N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine has a molecular weight of 513.65 g/mol, XLogP of 4.04, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[3-[(E)-but-1-enyl]imidazo[1,2-b]pyridazin-6-yl]pyrrolidin-3-yl]-1-ethyl-5,6-dimethyl-2-oxopyridine-3-carboxamide;pyridine is sourced from PubChem (CID 144737967), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).