4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide

C26H26N4O4S — CID 176834091

About 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide

4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide (PubChem CID 176834091) has the molecular formula C26H26N4O4S and a molecular weight of 490.59 g/mol. Its IUPAC name is 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide.

Molecular Properties

• Compound Name: 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
• PubChem CID: 176834091
• Molecular Formula: C26H26N4O4S
• Molecular Weight: 490.59 g/mol
• Exact Mass: 490.17
• IUPAC Name: 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide
• SMILES: COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CC3(COC3)C1)C2
• InChI: InChI=1S/C26H26N4O4S/c1-15-7-18(17-5-3-4-6-21(17)33-2)19(10-27-15)23(31)29-25-28-20-11-30(12-22(20)35-25)24(32)16-8-26(9-16)13-34-14-26/h3-7,10,16H,8-9,11-14H2,1-2H3,(H,28,29,31)
• InChIKey: DCPAWUZDGLSCCI-UHFFFAOYSA-N
• XLogP: 4.04
• TPSA: 93.65 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 7
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

Passes Rule of Five

Rule	Value
MW ≤ 500	490.59
LogP ≤ 5	4.04
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide?

The IUPAC name of 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide (CID 176834091) is 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide.

What is the SMILES notation for 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide?

The canonical SMILES for 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CC3(COC3)C1)C2.

What is the InChIKey of 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide?

The InChIKey is DCPAWUZDGLSCCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4O4S/c1-15-7-18(17-5-3-4-6-21(17)33-2)19(10-27-15)23(31)29-25-28-20-11-30(12-22(20)35-25)24(32)16-8-26(9-16)13-34-14-26/h3-7,10,16H,8-9,11-14H2,1-2H3,(H,28,29,31).

What are the key properties of 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide?

4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide has a molecular weight of 490.59 g/mol, XLogP of 4.04, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for 4-(2-methoxyphenyl)-6-methyl-N-[5-(2-oxaspiro[3.3]heptane-6-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]pyridine-3-carboxamide is sourced from PubChem (CID 176834091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).