N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

C29H29FN4O — CID 156742102

About N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (PubChem CID 156742102) has the molecular formula C29H29FN4O and a molecular weight of 468.58 g/mol. Its IUPAC name is N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

Molecular Properties

• Compound Name: N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
• PubChem CID: 156742102
• Molecular Formula: C29H29FN4O
• Molecular Weight: 468.58 g/mol
• Exact Mass: 468.23
• IUPAC Name: N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide
• SMILES: CC1(C)C[C@H](NC(=O)C2CC2)[C@@H](c2ccccc2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1
• InChI: InChI=1S/C29H29FN4O/c1-29(2)17-25(32-28(35)20-8-9-20)27(19-6-4-3-5-7-19)33(29)24-14-15-26-21(16-24)18-31-34(26)23-12-10-22(30)11-13-23/h3-7,10-16,18,20,25,27H,8-9,17H2,1-2H3,(H,32,35)/t25-,27+/m0/s1
• InChIKey: COUNWEXOGHANHU-AHKZPQOWSA-N
• XLogP: 5.79
• TPSA: 50.16 Ų
• H-Bond Donors: 1
• H-Bond Acceptors: 4
• Rotatable Bonds: 5
• Heavy Atoms: 35
• Complexity: —

Lipinski Rule of Five

1 violation

Rule	Value
MW ≤ 500	468.58
LogP ≤ 5	5.79
H-Bond Donors ≤ 5	1
H-Bond Acceptors ≤ 10	4

Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

The IUPAC name of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide (CID 156742102) is N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide.

What is the SMILES notation for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

The canonical SMILES for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is CC1(C)C[C@H](NC(=O)C2CC2)[C@@H](c2ccccc2)N1c1ccc2c(cnn2-c2ccc(F)cc2)c1.

What is the InChIKey of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

The InChIKey is COUNWEXOGHANHU-AHKZPQOWSA-N. The full InChI is InChI=1S/C29H29FN4O/c1-29(2)17-25(32-28(35)20-8-9-20)27(19-6-4-3-5-7-19)33(29)24-14-15-26-21(16-24)18-31-34(26)23-12-10-22(30)11-13-23/h3-7,10-16,18,20,25,27H,8-9,17H2,1-2H3,(H,32,35)/t25-,27+/m0/s1.

What are the key properties of N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide?

N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide has a molecular weight of 468.58 g/mol, XLogP of 5.79, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(2R,3S)-1-[1-(4-fluorophenyl)indazol-5-yl]-5,5-dimethyl-2-phenylpyrrolidin-3-yl]cyclopropanecarboxamide is sourced from PubChem (CID 156742102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).