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-1,2-oxazole-3-carboxamide

C30H28N6O4 — CID 154598010

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-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide (PubChem CID 154598010) has the molecular formula C30H28N6O4 and a molecular weight of 536.59 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-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide
• PubChem CID: 154598010
• Molecular Formula: C30H28N6O4
• Molecular Weight: 536.59 g/mol
• Exact Mass: 536.22
• 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-1,2-oxazole-3-carboxamide
• SMILES: Cc1cc(C(=O)N[C@H]2[C@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)C(=O)C2(C)C)no1
• InChI: InChI=1S/C30H28N6O4/c1-18-14-23(33-40-18)28(38)32-27-26(19-8-6-5-7-9-19)35(29(39)30(27,2)3)21-10-12-24-20(15-21)16-31-36(24)22-11-13-25(37)34(4)17-22/h5-17,26-27H,1-4H3,(H,32,38)/t26-,27-/m0/s1
• InChIKey: ATQMCCNFQTWUDI-SVBPBHIXSA-N
• XLogP: 3.93
• TPSA: 115.26 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	536.59
LogP ≤ 5	3.93
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-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide (CID 154598010) 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-1,2-oxazole-3-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-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide is Cc1cc(C(=O)N[C@H]2[C@H](c3ccccc3)N(c3ccc4c(cnn4-c4ccc(=O)n(C)c4)c3)C(=O)C2(C)C)no1.

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-1,2-oxazole-3-carboxamide?

The InChIKey is ATQMCCNFQTWUDI-SVBPBHIXSA-N. The full InChI is InChI=1S/C30H28N6O4/c1-18-14-23(33-40-18)28(38)32-27-26(19-8-6-5-7-9-19)35(29(39)30(27,2)3)21-10-12-24-20(15-21)16-31-36(24)22-11-13-25(37)34(4)17-22/h5-17,26-27H,1-4H3,(H,32,38)/t26-,27-/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-1,2-oxazole-3-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-1,2-oxazole-3-carboxamide has a molecular weight of 536.59 g/mol, XLogP of 3.93, 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-1,2-oxazole-3-carboxamide is sourced from PubChem (CID 154598010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).