6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

C26H24N6O3S — CID 165134519

About 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide

6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (PubChem CID 165134519) has the molecular formula C26H24N6O3S and a molecular weight of 500.58 g/mol. Its IUPAC name is 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

Molecular Properties

• Compound Name: 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
• PubChem CID: 165134519
• Molecular Formula: C26H24N6O3S
• Molecular Weight: 500.58 g/mol
• Exact Mass: 500.16
• IUPAC Name: 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide
• SMILES: Cc1ccnc([C@H]2C[C@@H]2C2=NS(=O)(=O)c3ccc(OCc4cn5cc(C6CC6)ccc5n4)cc3N2)n1
• InChI: InChI=1S/C26H24N6O3S/c1-15-8-9-27-25(28-15)20-11-21(20)26-30-22-10-19(5-6-23(22)36(33,34)31-26)35-14-18-13-32-12-17(16-2-3-16)4-7-24(32)29-18/h4-10,12-13,16,20-21H,2-3,11,14H2,1H3,(H,30,31)/t20-,21-/m0/s1
• InChIKey: KNMNSPSMNXVPPX-SFTDATJTSA-N
• XLogP: 4.21
• TPSA: 110.84 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 6
• Heavy Atoms: 36
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	500.58
LogP ≤ 5	4.21
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?

The IUPAC name of 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide (CID 165134519) is 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide.

What is the SMILES notation for 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?

The canonical SMILES for 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is Cc1ccnc([C@H]2C[C@@H]2C2=NS(=O)(=O)c3ccc(OCc4cn5cc(C6CC6)ccc5n4)cc3N2)n1.

What is the InChIKey of 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?

The InChIKey is KNMNSPSMNXVPPX-SFTDATJTSA-N. The full InChI is InChI=1S/C26H24N6O3S/c1-15-8-9-27-25(28-15)20-11-21(20)26-30-22-10-19(5-6-23(22)36(33,34)31-26)35-14-18-13-32-12-17(16-2-3-16)4-7-24(32)29-18/h4-10,12-13,16,20-21H,2-3,11,14H2,1H3,(H,30,31)/t20-,21-/m0/s1.

What are the key properties of 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide?

6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide has a molecular weight of 500.58 g/mol, XLogP of 4.21, 6 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 6-[(6-cyclopropylimidazo[1,2-a]pyridin-2-yl)methoxy]-3-[(1S,2S)-2-(4-methylpyrimidin-2-yl)cyclopropyl]-4H-1λ6,2,4-benzothiadiazine 1,1-dioxide is sourced from PubChem (CID 165134519), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).