7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

C33H40N8O2 — CID 57385611

About 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide

7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (PubChem CID 57385611) has the molecular formula C33H40N8O2 and a molecular weight of 580.74 g/mol. Its IUPAC name is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• PubChem CID: 57385611
• Molecular Formula: C33H40N8O2
• Molecular Weight: 580.74 g/mol
• Exact Mass: 580.33
• IUPAC Name: 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide
• SMILES: CCCc1ccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)nc1
• InChI: InChI=1S/C33H40N8O2/c1-5-7-25-10-11-26(34-19-25)22-41-29-9-6-8-28(32(29)24(3)37-41)36-33(42)30-20-35-31-18-27(12-13-40(30)31)43-17-16-39-15-14-38(4)23(2)21-39/h6,8-13,18-20,23H,5,7,14-17,21-22H2,1-4H3,(H,36,42)/t23-/m0/s1
• InChIKey: UJGJRNFTJYAXJZ-QHCPKHFHSA-N
• XLogP: 4.66
• TPSA: 92.82 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 10
• Heavy Atoms: 43
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	580.74
LogP ≤ 5	4.66
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The IUPAC name of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide (CID 57385611) is 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide.

What is the SMILES notation for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The canonical SMILES for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is CCCc1ccc(Cn2nc(C)c3c(NC(=O)c4cnc5cc(OCCN6CCN(C)[C@@H](C)C6)ccn45)cccc32)nc1.

What is the InChIKey of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

The InChIKey is UJGJRNFTJYAXJZ-QHCPKHFHSA-N. The full InChI is InChI=1S/C33H40N8O2/c1-5-7-25-10-11-26(34-19-25)22-41-29-9-6-8-28(32(29)24(3)37-41)36-33(42)30-20-35-31-18-27(12-13-40(30)31)43-17-16-39-15-14-38(4)23(2)21-39/h6,8-13,18-20,23H,5,7,14-17,21-22H2,1-4H3,(H,36,42)/t23-/m0/s1.

What are the key properties of 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide?

7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide has a molecular weight of 580.74 g/mol, XLogP of 4.66, 10 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 7-[2-[(3S)-3,4-dimethylpiperazin-1-yl]ethoxy]-N-[3-methyl-1-[(5-propyl-2-pyridinyl)methyl]indazol-4-yl]imidazo[1,2-a]pyridine-3-carboxamide is sourced from PubChem (CID 57385611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).