2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine

C60H60F6IN11O12 — CID 157326410

About 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine

2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine (PubChem CID 157326410) has the molecular formula C60H60F6IN11O12 and a molecular weight of 1368.10 g/mol. Its IUPAC name is 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine.

Molecular Properties

• Compound Name: 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
• PubChem CID: 157326410
• Molecular Formula: C60H60F6IN11O12
• Molecular Weight: 1368.10 g/mol
• Exact Mass: 1367.34
• IUPAC Name: 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine
• SMILES: CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccc2c(c1)OCCO2.CC(F)(F)C(=O)O.CN.Cn1cc(-n2ncc3cc(I)ccc32)ccc1=O.Cn1cc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccc5c(c4)OCCO5)ccc32)ccc1=O
• InChI: InChI=1S/C28H25F2N5O5.C15H16F2N2O4.C13H10IN3O.C3H4F2O2.CH5N/c1-28(29,30)27(38)32-20-13-25(37)34(26(20)16-3-7-22-23(12-16)40-10-9-39-22)18-4-6-21-17(11-18)14-31-35(21)19-5-8-24(36)33(2)15-19;1-15(16,17)14(21)18-9-7-12(20)19-13(9)8-2-3-10-11(6-8)23-5-4-22-10;1-16-8-11(3-5-13(16)18)17-12-4-2-10(14)6-9(12)7-15-17;1-3(4,5)2(6)7;1-2/h3-8,11-12,14-15,20,26H,9-10,13H2,1-2H3,(H,32,38);2-3,6,9,13H,4-5,7H2,1H3,(H,18,21)(H,19,20);2-8H,1H3;1H3,(H,6,7);2H2,1H3/t20-,26?;9-,13?;;;/m00.../s1
• InChIKey: BETULCUXMSVFNC-AVHBGRJDSA-N
• XLogP: 6.90
• TPSA: 287.49 Ų
• H-Bond Donors: 5
• H-Bond Acceptors: 18
• Rotatable Bonds: 10
• Heavy Atoms: 90
• Complexity: —

Lipinski Rule of Five

3 violations

Rule	Value
MW ≤ 500	1368.10
LogP ≤ 5	6.90
H-Bond Donors ≤ 5	5
H-Bond Acceptors ≤ 10	18

Computed Properties (RDKit)

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

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine?

The IUPAC name of 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine (CID 157326410) is 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine.

What is the SMILES notation for 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine?

The canonical SMILES for 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccc2c(c1)OCCO2.CC(F)(F)C(=O)O.CN.Cn1cc(-n2ncc3cc(I)ccc32)ccc1=O.Cn1cc(-n2ncc3cc(N4C(=O)C[C@H](NC(=O)C(C)(F)F)C4c4ccc5c(c4)OCCO5)ccc32)ccc1=O.

What is the InChIKey of 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine?

The InChIKey is BETULCUXMSVFNC-AVHBGRJDSA-N. The full InChI is InChI=1S/C28H25F2N5O5.C15H16F2N2O4.C13H10IN3O.C3H4F2O2.CH5N/c1-28(29,30)27(38)32-20-13-25(37)34(26(20)16-3-7-22-23(12-16)40-10-9-39-22)18-4-6-21-17(11-18)14-31-35(21)19-5-8-24(36)33(2)15-19;1-15(16,17)14(21)18-9-7-12(20)19-13(9)8-2-3-10-11(6-8)23-5-4-22-10;1-16-8-11(3-5-13(16)18)17-12-4-2-10(14)6-9(12)7-15-17;1-3(4,5)2(6)7;1-2/h3-8,11-12,14-15,20,26H,9-10,13H2,1-2H3,(H,32,38);2-3,6,9,13H,4-5,7H2,1H3,(H,18,21)(H,19,20);2-8H,1H3;1H3,(H,6,7);2H2,1H3/t20-,26?;9-,13?;;;/m00.../s1.

What are the key properties of 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine?

2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine has a molecular weight of 1368.10 g/mol, XLogP of 6.90, 10 rotatable bonds, 5 hydrogen bond donors, and 18 hydrogen bond acceptors.

Where does this data come from?

All data for 2,2-difluoropropanoic acid;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-1-[1-(1-methyl-6-oxo-3-pyridinyl)indazol-5-yl]-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;N-[(3S)-2-(2,3-dihydro-1,4-benzodioxin-6-yl)-5-oxopyrrolidin-3-yl]-2,2-difluoropropanamide;5-(5-iodoindazol-1-yl)-1-methylpyridin-2-one;methanamine is sourced from PubChem (CID 157326410), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).