N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide

C25H25N5O4S — CID 176834293

About N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide

N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (PubChem CID 176834293) has the molecular formula C25H25N5O4S and a molecular weight of 491.57 g/mol. Its IUPAC name is N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

Molecular Properties

• Compound Name: N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
• PubChem CID: 176834293
• Molecular Formula: C25H25N5O4S
• Molecular Weight: 491.57 g/mol
• Exact Mass: 491.16
• IUPAC Name: N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide
• SMILES: COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CCN1C(C)=O)C2
• InChI: InChI=1S/C25H25N5O4S/c1-14-10-17(16-6-4-5-7-21(16)34-3)18(11-26-14)23(32)28-25-27-19-12-29(13-22(19)35-25)24(33)20-8-9-30(20)15(2)31/h4-7,10-11,20H,8-9,12-13H2,1-3H3,(H,27,28,32)
• InChIKey: CAXXBFASRYCRKU-UHFFFAOYSA-N
• XLogP: 3.24
• TPSA: 104.73 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	491.57
LogP ≤ 5	3.24
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	7

Frequently Asked Questions

What is the IUPAC name of N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The IUPAC name of N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide (CID 176834293) is N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide.

What is the SMILES notation for N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The canonical SMILES for N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is COc1ccccc1-c1cc(C)ncc1C(=O)Nc1nc2c(s1)CN(C(=O)C1CCN1C(C)=O)C2.

What is the InChIKey of N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?

The InChIKey is CAXXBFASRYCRKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N5O4S/c1-14-10-17(16-6-4-5-7-21(16)34-3)18(11-26-14)23(32)28-25-27-19-12-29(13-22(19)35-25)24(33)20-8-9-30(20)15(2)31/h4-7,10-11,20H,8-9,12-13H2,1-3H3,(H,27,28,32).

What are the key properties of N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide?

N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide has a molecular weight of 491.57 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.

Where does this data come from?

All data for N-[5-(1-acetylazetidine-2-carbonyl)-4,6-dihydropyrrolo[3,4-d][1,3]thiazol-2-yl]-4-(2-methoxyphenyl)-6-methylpyridine-3-carboxamide is sourced from PubChem (CID 176834293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).