N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

C49H54F4IN9O4 — CID 159020521

About N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine

N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (PubChem CID 159020521) has the molecular formula C49H54F4IN9O4 and a molecular weight of 1035.93 g/mol. Its IUPAC name is N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

• Compound Name: N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
• PubChem CID: 159020521
• Molecular Formula: C49H54F4IN9O4
• Molecular Weight: 1035.93 g/mol
• Exact Mass: 1035.33
• IUPAC Name: N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
• SMILES: CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3CC3CC3)c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Ic1ccc2c(cnn2CC2CC2)c1
• InChI: InChI=1S/C24H24F2N4O2.C13H14F2N2O2.C11H11IN2.CH5N/c1-24(25,26)23(32)28-19-12-21(31)30(22(19)16-5-3-2-4-6-16)18-9-10-20-17(11-18)13-27-29(20)14-15-7-8-15;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;1-2/h2-6,9-11,13,15,19,22H,7-8,12,14H2,1H3,(H,28,32);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);3-6,8H,1-2,7H2;2H2,1H3/t19-,22?;9-,11?;;/m00../s1
• InChIKey: JTQBMDJRVRHMNL-CXKKWXPSSA-N
• XLogP: 8.08
• TPSA: 169.27 Ų
• H-Bond Donors: 4
• H-Bond Acceptors: 9
• Rotatable Bonds: 11
• Heavy Atoms: 67
• Complexity: —

Lipinski Rule of Five

2 violations

Rule	Value
MW ≤ 500	1035.93
LogP ≤ 5	8.08
H-Bond Donors ≤ 5	4
H-Bond Acceptors ≤ 10	9

Computed Properties (RDKit)

• Structural Alerts: {'alert_name': 'iodine', 'substructure': 'N/A'}

Frequently Asked Questions

What is the IUPAC name of N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The IUPAC name of N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (CID 159020521) is N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

What is the SMILES notation for N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The canonical SMILES for N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3CC3CC3)c2)C1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Ic1ccc2c(cnn2CC2CC2)c1.

What is the InChIKey of N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

The InChIKey is JTQBMDJRVRHMNL-CXKKWXPSSA-N. The full InChI is InChI=1S/C24H24F2N4O2.C13H14F2N2O2.C11H11IN2.CH5N/c1-24(25,26)23(32)28-19-12-21(31)30(22(19)16-5-3-2-4-6-16)18-9-10-20-17(11-18)13-27-29(20)14-15-7-8-15;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;12-10-3-4-11-9(5-10)6-13-14(11)7-8-1-2-8;1-2/h2-6,9-11,13,15,19,22H,7-8,12,14H2,1H3,(H,28,32);2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);3-6,8H,1-2,7H2;2H2,1H3/t19-,22?;9-,11?;;/m00../s1.

What are the key properties of N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?

N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1035.93 g/mol, XLogP of 8.08, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.

Where does this data come from?

All data for N-[(3S)-1-[1-(cyclopropylmethyl)indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-(cyclopropylmethyl)-5-iodoindazole;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 159020521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).