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

C27H22N6O3S — CID 175047378

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

2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (PubChem CID 175047378) has the molecular formula C27H22N6O3S and a molecular weight of 510.58 g/mol. Its IUPAC name is 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

Molecular Properties

• Compound Name: 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
• PubChem CID: 175047378
• Molecular Formula: C27H22N6O3S
• Molecular Weight: 510.58 g/mol
• Exact Mass: 510.15
• IUPAC Name: 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide
• SMILES: Cn1cc(-n2ncc3cc(N4C(=O)C[C@H](c5nc(C(N)=O)cs5)[C@@H]4c4ccccc4)ccc32)ccc1=O
• InChI: InChI=1S/C27H22N6O3S/c1-31-14-19(8-10-23(31)34)33-22-9-7-18(11-17(22)13-29-33)32-24(35)12-20(25(32)16-5-3-2-4-6-16)27-30-21(15-37-27)26(28)36/h2-11,13-15,20,25H,12H2,1H3,(H2,28,36)/t20-,25-/m0/s1
• InChIKey: ULFBRJCNCZSQMD-CPJSRVTESA-N
• XLogP: 3.54
• TPSA: 116.11 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 8
• Rotatable Bonds: 5
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	510.58
LogP ≤ 5	3.54
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	8

Frequently Asked Questions

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

The IUPAC name of 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide (CID 175047378) is 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide.

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

The canonical SMILES for 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is Cn1cc(-n2ncc3cc(N4C(=O)C[C@H](c5nc(C(N)=O)cs5)[C@@H]4c4ccccc4)ccc32)ccc1=O.

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

The InChIKey is ULFBRJCNCZSQMD-CPJSRVTESA-N. The full InChI is InChI=1S/C27H22N6O3S/c1-31-14-19(8-10-23(31)34)33-22-9-7-18(11-17(22)13-29-33)32-24(35)12-20(25(32)16-5-3-2-4-6-16)27-30-21(15-37-27)26(28)36/h2-11,13-15,20,25H,12H2,1H3,(H2,28,36)/t20-,25-/m0/s1.

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

2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide has a molecular weight of 510.58 g/mol, XLogP of 3.54, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.

Where does this data come from?

All data for 2-[(2R,3S)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 175047378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).