N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide

C30H28N6O3S — CID 154598308

About N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide

N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide (PubChem CID 154598308) has the molecular formula C30H28N6O3S and a molecular weight of 552.66 g/mol. Its IUPAC name is N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide.

Molecular Properties

• Compound Name: N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide
• PubChem CID: 154598308
• Molecular Formula: C30H28N6O3S
• Molecular Weight: 552.66 g/mol
• Exact Mass: 552.19
• IUPAC Name: N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide
• SMILES: Cc1cnc(C(=O)N[C@H]2[C@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)C(=O)C2(C)C)s1
• InChI: InChI=1S/C30H28N6O3S/c1-18-15-31-28(40-18)27(38)33-26-25(19-8-6-5-7-9-19)35(29(39)30(26,2)3)21-10-12-23-20(14-21)16-32-36(23)22-11-13-24(37)34(4)17-22/h5-17,25-26H,1-4H3,(H,33,38)/t25-,26-/m0/s1
• InChIKey: ADCYOGYKNOQVFD-UIOOFZCWSA-N
• XLogP: 4.40
• TPSA: 102.12 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 40
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	552.66
LogP ≤ 5	4.40
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

What is the IUPAC name of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide?

The IUPAC name of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide (CID 154598308) is N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide.

What is the SMILES notation for N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide?

The canonical SMILES for N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide is Cc1cnc(C(=O)N[C@H]2[C@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)C(=O)C2(C)C)s1.

What is the InChIKey of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide?

The InChIKey is ADCYOGYKNOQVFD-UIOOFZCWSA-N. The full InChI is InChI=1S/C30H28N6O3S/c1-18-15-31-28(40-18)27(38)33-26-25(19-8-6-5-7-9-19)35(29(39)30(26,2)3)21-10-12-23-20(14-21)16-32-36(23)22-11-13-24(37)34(4)17-22/h5-17,25-26H,1-4H3,(H,33,38)/t25-,26-/m0/s1.

What are the key properties of N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide?

N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide has a molecular weight of 552.66 g/mol, XLogP of 4.40, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2S,3R)-4,4-dimethyl-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-5-methyl-1,3-thiazole-2-carboxamide is sourced from PubChem (CID 154598308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).