N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

C30H33N7O2 — CID 123952864

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123952864) has the molecular formula C30H33N7O2 and a molecular weight of 523.64 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 123952864
• Molecular Formula: C30H33N7O2
• Molecular Weight: 523.64 g/mol
• Exact Mass: 523.27
• IUPAC Name: N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC5CCCN5C)ccn34)c12
• InChI: InChI=1S/C30H33N7O2/c1-4-24-29-25(11-6-12-26(29)37(34-24)18-21-9-5-8-20(2)32-21)33-30(38)27-17-31-28-16-23(13-15-36(27)28)39-19-22-10-7-14-35(22)3/h5-6,8-9,11-13,15-17,22H,4,7,10,14,18-19H2,1-3H3,(H,33,38)
• InChIKey: DCECIEBVJDAVLR-UHFFFAOYSA-N
• XLogP: 4.72
• TPSA: 89.58 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 8
• Heavy Atoms: 39
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	523.64
LogP ≤ 5	4.72
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide (CID 123952864) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(OCC5CCCN5C)ccn34)c12.

What is the InChIKey of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is DCECIEBVJDAVLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H33N7O2/c1-4-24-29-25(11-6-12-26(29)37(34-24)18-21-9-5-8-20(2)32-21)33-30(38)27-17-31-28-16-23(13-15-36(27)28)39-19-22-10-7-14-35(22)3/h5-6,8-9,11-13,15-17,22H,4,7,10,14,18-19H2,1-3H3,(H,33,38).

What are the key properties of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide?

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 523.64 g/mol, XLogP of 4.72, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-[(1-methylpyrrolidin-2-yl)methoxy]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123952864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).