2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide

C24H23N7O2S — CID 157489149

About 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide

2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide (PubChem CID 157489149) has the molecular formula C24H23N7O2S and a molecular weight of 473.56 g/mol. Its IUPAC name is 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide.

Molecular Properties

• Compound Name: 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide
• PubChem CID: 157489149
• Molecular Formula: C24H23N7O2S
• Molecular Weight: 473.56 g/mol
• Exact Mass: 473.16
• IUPAC Name: 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide
• SMILES: CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(C(N)=O)s5)ncc4cn3)ccn2)CC1
• InChI: InChI=1S/C24H23N7O2S/c1-30-4-6-31(7-5-30)22-10-15(2-3-26-22)20(32)11-18-8-16-9-19(28-13-17(16)12-27-18)24-29-14-21(34-24)23(25)33/h2-3,8-10,12-14H,4-7,11H2,1H3,(H2,25,33)
• InChIKey: BXBHOWWECDKUNZ-UHFFFAOYSA-N
• XLogP: 2.42
• TPSA: 118.20 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 9
• Rotatable Bonds: 6
• Heavy Atoms: 34
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	473.56
LogP ≤ 5	2.42
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	9

Frequently Asked Questions

What is the IUPAC name of 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide?

The IUPAC name of 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide (CID 157489149) is 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide.

What is the SMILES notation for 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide?

The canonical SMILES for 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide is CN1CCN(c2cc(C(=O)Cc3cc4cc(-c5ncc(C(N)=O)s5)ncc4cn3)ccn2)CC1.

What is the InChIKey of 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide?

The InChIKey is BXBHOWWECDKUNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O2S/c1-30-4-6-31(7-5-30)22-10-15(2-3-26-22)20(32)11-18-8-16-9-19(28-13-17(16)12-27-18)24-29-14-21(34-24)23(25)33/h2-3,8-10,12-14H,4-7,11H2,1H3,(H2,25,33).

What are the key properties of 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide?

2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide has a molecular weight of 473.56 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[6-[2-[2-(4-methylpiperazin-1-yl)-4-pyridinyl]-2-oxoethyl]-2,7-naphthyridin-3-yl]-1,3-thiazole-5-carboxamide is sourced from PubChem (CID 157489149), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).