2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine

C55H52F6IN9O4 — CID 158350406

IUPAC2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Fc1ccc(Cn2ncc3cc(I)ccc32)cc1
InChIInChI=1S/C27H23F3N4O2.C14H10FIN2.C13H14F2N2O2.CH5N/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)18-5-3-2-4-6-18)21-11-12-23-19(13-21)15-31-33(23)16-17-7-9-20(28)10-8-17;15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-13,15,22,25H,14,16H2,1H3,(H,32,36);1-8H,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t22-,25+;;9-,11?;/m0.0./s1
InChIKeyGSFZPYHRKLOTLH-HPPLSGEUSA-N
MW1143.97 g/mol
LogP9.63
Rot. Bonds11

About 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine

2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine (PubChem CID 158350406) has the molecular formula C55H52F6IN9O4 and a molecular weight of 1143.97 g/mol. Its IUPAC name is 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine.

Molecular Properties

Compound Name2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
PubChem CID158350406
Molecular FormulaC55H52F6IN9O4
Molecular Weight1143.97 g/mol
Exact Mass1143.31
IUPAC Name2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Fc1ccc(Cn2ncc3cc(I)ccc32)cc1
InChIInChI=1S/C27H23F3N4O2.C14H10FIN2.C13H14F2N2O2.CH5N/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)18-5-3-2-4-6-18)21-11-12-23-19(13-21)15-31-33(23)16-17-7-9-20(28)10-8-17;15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-13,15,22,25H,14,16H2,1H3,(H,32,36);1-8H,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t22-,25+;;9-,11?;/m0.0./s1
InChIKeyGSFZPYHRKLOTLH-HPPLSGEUSA-N
XLogP9.63
TPSA169.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms75
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001143.97
LogP ≤ 59.63
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

Analyze 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine with MolForge

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Related Compounds

(2S)-3-(3,5-difluorophenyl)-2-[[(1S)-1-[(3,5-difluorophenyl)methyl]-2-[methyl-(1-methylindazol-5-yl)amino]-2-oxo-ethyl]sulfamoylcarbamoylamino]-N-methyl-N-(1-methylindazol-5-yl)propanamide
CID 129908518
US12358907, Example 129
CID 154598005
US12358907, Example 137
CID 154598013
US12358907, Example 148
CID 154598015
US12358907, Example 46
CID 154598021
US12358907, Example 95
CID 154598044
US12358907, Example 77
CID 154598066
US12358907, Example 64
CID 154598071
US12358907, Example 120
CID 154598171
US12358907, Example 131
CID 154598177
US12358907, Example 132
CID 154598195
US12358907, Example 139b
CID 154598197

Frequently Asked Questions

What is the IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?
The IUPAC name of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine (CID 158350406) is 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine.
What is the SMILES notation for 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?
The canonical SMILES for 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3Cc3ccc(F)cc3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)NC1c1ccccc1.CN.Fc1ccc(Cn2ncc3cc(I)ccc32)cc1.
What is the InChIKey of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?
The InChIKey is GSFZPYHRKLOTLH-HPPLSGEUSA-N. The full InChI is InChI=1S/C27H23F3N4O2.C14H10FIN2.C13H14F2N2O2.CH5N/c1-27(29,30)26(36)32-22-14-24(35)34(25(22)18-5-3-2-4-6-18)21-11-12-23-19(13-21)15-31-33(23)16-17-7-9-20(28)10-8-17;15-12-3-1-10(2-4-12)9-18-14-6-5-13(16)7-11(14)8-17-18;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-13,15,22,25H,14,16H2,1H3,(H,32,36);1-8H,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t22-,25+;;9-,11?;/m0.0./s1.
What are the key properties of 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine?
2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine has a molecular weight of 1143.97 g/mol, XLogP of 9.63, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2,2-difluoro-N-[(2R,3S)-1-[1-[(4-fluorophenyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;2,2-difluoro-N-[(3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;1-[(4-fluorophenyl)methyl]-5-iodoindazole;methanamine is sourced from PubChem (CID 158350406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).