4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide

C25H30FN7O2 — CID 167500872

About 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide

4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide (PubChem CID 167500872) has the molecular formula C25H30FN7O2 and a molecular weight of 479.56 g/mol. Its IUPAC name is 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide.

Molecular Properties

• Compound Name: 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide
• PubChem CID: 167500872
• Molecular Formula: C25H30FN7O2
• Molecular Weight: 479.56 g/mol
• Exact Mass: 479.24
• IUPAC Name: 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide
• SMILES: COCCn1cc2c(N3C[C@H](C)N[C@@H](C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1
• InChI: InChI=1S/C25H30FN7O2/c1-15-10-31(11-16(2)27-15)22-6-5-19(23-20(22)14-33(30-23)7-8-35-4)25(34)29-18-9-21(26)24-28-17(3)12-32(24)13-18/h5-6,9,12-16,27H,7-8,10-11H2,1-4H3,(H,29,34)/t15-,16-/m0/s1
• InChIKey: GRIYQNDVQFOBBZ-HOTGVXAUSA-N
• XLogP: 3.22
• TPSA: 88.72 Ų
• H-Bond Donors: 2
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	479.56
LogP ≤ 5	3.22
H-Bond Donors ≤ 5	2
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide?

The IUPAC name of 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide (CID 167500872) is 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide.

What is the SMILES notation for 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide?

The canonical SMILES for 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide is COCCn1cc2c(N3C[C@H](C)N[C@@H](C)C3)ccc(C(=O)Nc3cc(F)c4nc(C)cn4c3)c2n1.

What is the InChIKey of 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide?

The InChIKey is GRIYQNDVQFOBBZ-HOTGVXAUSA-N. The full InChI is InChI=1S/C25H30FN7O2/c1-15-10-31(11-16(2)27-15)22-6-5-19(23-20(22)14-33(30-23)7-8-35-4)25(34)29-18-9-21(26)24-28-17(3)12-32(24)13-18/h5-6,9,12-16,27H,7-8,10-11H2,1-4H3,(H,29,34)/t15-,16-/m0/s1.

What are the key properties of 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide?

4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide has a molecular weight of 479.56 g/mol, XLogP of 3.22, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 4-[(3S,5S)-3,5-dimethylpiperazin-1-yl]-N-(8-fluoro-2-methylimidazo[1,2-a]pyridin-6-yl)-2-(2-methoxyethyl)indazole-7-carboxamide is sourced from PubChem (CID 167500872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).