1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide

C30H29FN4O2 — CID 175360473

About 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide

1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide (PubChem CID 175360473) has the molecular formula C30H29FN4O2 and a molecular weight of 496.59 g/mol. Its IUPAC name is 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide.

Molecular Properties

• Compound Name: 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
• PubChem CID: 175360473
• Molecular Formula: C30H29FN4O2
• Molecular Weight: 496.59 g/mol
• Exact Mass: 496.23
• IUPAC Name: 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide
• SMILES: CC[C@@]1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](c2ccccc2)[C@@H]1C1(C(N)=O)CC1
• InChI: InChI=1S/C30H29FN4O2/c1-3-29(2)26(30(15-16-30)27(32)36)25(19-7-5-4-6-8-19)34(28(29)37)23-13-14-24-20(17-23)18-33-35(24)22-11-9-21(31)10-12-22/h4-14,17-18,25-26H,3,15-16H2,1-2H3,(H2,32,36)/t25-,26-,29+/m0/s1
• InChIKey: MOKNWQOYFQHBHJ-QXTIUPHPSA-N
• XLogP: 5.55
• TPSA: 81.22 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 6
• Heavy Atoms: 37
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	496.59
LogP ≤ 5	5.55
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

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

The IUPAC name of 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide (CID 175360473) is 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide.

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

The canonical SMILES for 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide is CC[C@@]1(C)C(=O)N(c2ccc3c(cnn3-c3ccc(F)cc3)c2)[C@@H](c2ccccc2)[C@@H]1C1(C(N)=O)CC1.

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

The InChIKey is MOKNWQOYFQHBHJ-QXTIUPHPSA-N. The full InChI is InChI=1S/C30H29FN4O2/c1-3-29(2)26(30(15-16-30)27(32)36)25(19-7-5-4-6-8-19)34(28(29)37)23-13-14-24-20(17-23)18-33-35(24)22-11-9-21(31)10-12-22/h4-14,17-18,25-26H,3,15-16H2,1-2H3,(H2,32,36)/t25-,26-,29+/m0/s1.

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

1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide has a molecular weight of 496.59 g/mol, XLogP of 5.55, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for 1-[(2R,3S,4R)-4-ethyl-1-[1-(4-fluorophenyl)indazol-5-yl]-4-methyl-5-oxo-2-phenylpyrrolidin-3-yl]cyclopropane-1-carboxamide is sourced from PubChem (CID 175360473), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).