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

C27H27N9O — CID 123743306

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

7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 123743306) has the molecular formula C27H27N9O and a molecular weight of 493.58 g/mol. Its IUPAC name is 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 123743306
• Molecular Formula: C27H27N9O
• Molecular Weight: 493.58 g/mol
• Exact Mass: 493.23
• IUPAC Name: 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: [H]/N=C/N(/C(C)=N/[H])c1ccn2c(C(=O)Nc3cccc4c3c(CC)nn4Cc3cccc(C)n3)cnc2c1
• InChI: InChI=1S/C27H27N9O/c1-4-21-26-22(9-6-10-23(26)36(33-21)15-19-8-5-7-17(2)31-19)32-27(37)24-14-30-25-13-20(11-12-34(24)25)35(16-28)18(3)29/h5-14,16,28-29H,4,15H2,1-3H3,(H,32,37)/b28-16+,29-18+
• InChIKey: QMTQCHUOJCTVIE-NWOYDJGMSA-N
• XLogP: 4.66
• TPSA: 128.05 Ų
• H-Bond Donors: 3
• H-Bond Acceptors: 8
• Rotatable Bonds: 7
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	493.58
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	3
H-Bond Acceptors ≤ 10	8

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'imine_2', 'substructure': 'N/A'}

Frequently Asked Questions

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

The IUPAC name of 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 123743306) is 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

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

The canonical SMILES for 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is [H]/N=C/N(/C(C)=N/[H])c1ccn2c(C(=O)Nc3cccc4c3c(CC)nn4Cc3cccc(C)n3)cnc2c1.

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

The InChIKey is QMTQCHUOJCTVIE-NWOYDJGMSA-N. The full InChI is InChI=1S/C27H27N9O/c1-4-21-26-22(9-6-10-23(26)36(33-21)15-19-8-5-7-17(2)31-19)32-27(37)24-14-30-25-13-20(11-12-34(24)25)35(16-28)18(3)29/h5-14,16,28-29H,4,15H2,1-3H3,(H,32,37)/b28-16+,29-18+.

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

7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 493.58 g/mol, XLogP of 4.66, 7 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[ethanimidoyl(methanimidoyl)amino]-N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 123743306), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).