N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

C30H34Cl2N8O2 — CID 67260053

About N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (PubChem CID 67260053) has the molecular formula C30H34Cl2N8O2 and a molecular weight of 609.56 g/mol. Its IUPAC name is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

Molecular Properties

• Compound Name: N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
• PubChem CID: 67260053
• Molecular Formula: C30H34Cl2N8O2
• Molecular Weight: 609.56 g/mol
• Exact Mass: 608.22
• IUPAC Name: N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride
• SMILES: CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CCN(C)CC5)ccn34)c12.Cl.Cl
• InChI: InChI=1S/C30H32N8O2.2ClH/c1-4-23-28-24(9-6-10-25(28)38(34-23)19-22-8-5-7-20(2)32-22)33-29(39)26-18-31-27-17-21(11-12-37(26)27)30(40)36-15-13-35(3)14-16-36;;/h5-12,17-18H,4,13-16,19H2,1-3H3,(H,33,39);2*1H
• InChIKey: FCZGHVCEALTWET-UHFFFAOYSA-N
• XLogP: 4.48
• TPSA: 100.66 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 42
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	609.56
LogP ≤ 5	4.48
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-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride?

The IUPAC name of N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride (CID 67260053) is N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride.

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

The canonical SMILES for N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is CCc1nn(Cc2cccc(C)n2)c2cccc(NC(=O)c3cnc4cc(C(=O)N5CCN(C)CC5)ccn34)c12.Cl.Cl.

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

The InChIKey is FCZGHVCEALTWET-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H32N8O2.2ClH/c1-4-23-28-24(9-6-10-25(28)38(34-23)19-22-8-5-7-20(2)32-22)33-29(39)26-18-31-27-17-21(11-12-37(26)27)30(40)36-15-13-35(3)14-16-36;;/h5-12,17-18H,4,13-16,19H2,1-3H3,(H,33,39);2*1H.

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

N-[3-ethyl-1-[(6-methyl-2-pyridinyl)methyl]indazol-4-yl]-7-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride has a molecular weight of 609.56 g/mol, XLogP of 4.48, 6 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-(4-methylpiperazine-1-carbonyl)imidazo[1,2-a]pyridine-3-carboxamide;dihydrochloride is sourced from PubChem (CID 67260053), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).