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

C55H62F8IN9O4 — CID 165097584

IUPACN-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3CC3CCC(F)(F)CC3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CN.FC1(F)CCC(Cn2ncc3cc(I)ccc32)CC1
InChIInChI=1S/C27H28F4N4O2.C14H15F2IN2.C13H14F2N2O2.CH5N/c1-26(28,29)25(37)33-21-14-23(36)35(24(21)18-5-3-2-4-6-18)20-7-8-22-19(13-20)15-32-34(22)16-17-9-11-27(30,31)12-10-17;15-14(16)5-3-10(4-6-14)9-19-13-2-1-12(17)7-11(13)8-18-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-8,13,15,17,21,24H,9-12,14,16H2,1H3,(H,33,37);1-2,7-8,10H,3-6,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t21-,24+;;9-,11+;/m0.0./s1
InChIKeyXTQZPNRKWVBTLB-LSVOMRCTSA-N
MW1192.05 g/mol
LogP10.91
Rot. Bonds11

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

N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (PubChem CID 165097584) has the molecular formula C55H62F8IN9O4 and a molecular weight of 1192.05 g/mol. Its IUPAC name is N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.

Molecular Properties

Compound NameN-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
PubChem CID165097584
Molecular FormulaC55H62F8IN9O4
Molecular Weight1192.05 g/mol
Exact Mass1191.38
IUPAC NameN-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine
SMILESCC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3CC3CCC(F)(F)CC3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CN.FC1(F)CCC(Cn2ncc3cc(I)ccc32)CC1
InChIInChI=1S/C27H28F4N4O2.C14H15F2IN2.C13H14F2N2O2.CH5N/c1-26(28,29)25(37)33-21-14-23(36)35(24(21)18-5-3-2-4-6-18)20-7-8-22-19(13-20)15-32-34(22)16-17-9-11-27(30,31)12-10-17;15-14(16)5-3-10(4-6-14)9-19-13-2-1-12(17)7-11(13)8-18-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-8,13,15,17,21,24H,9-12,14,16H2,1H3,(H,33,37);1-2,7-8,10H,3-6,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t21-,24+;;9-,11+;/m0.0./s1
InChIKeyXTQZPNRKWVBTLB-LSVOMRCTSA-N
XLogP10.91
TPSA169.27 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds11
Heavy Atoms77
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001192.05
LogP ≤ 510.91
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

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

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

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Frequently Asked Questions

What is the IUPAC name of N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
The IUPAC name of N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine (CID 165097584) is N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine.
What is the SMILES notation for N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
The canonical SMILES for N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is CC(F)(F)C(=O)N[C@H]1CC(=O)N(c2ccc3c(cnn3CC3CCC(F)(F)CC3)c2)[C@@H]1c1ccccc1.CC(F)(F)C(=O)N[C@H]1CC(=O)N[C@@H]1c1ccccc1.CN.FC1(F)CCC(Cn2ncc3cc(I)ccc32)CC1.
What is the InChIKey of N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
The InChIKey is XTQZPNRKWVBTLB-LSVOMRCTSA-N. The full InChI is InChI=1S/C27H28F4N4O2.C14H15F2IN2.C13H14F2N2O2.CH5N/c1-26(28,29)25(37)33-21-14-23(36)35(24(21)18-5-3-2-4-6-18)20-7-8-22-19(13-20)15-32-34(22)16-17-9-11-27(30,31)12-10-17;15-14(16)5-3-10(4-6-14)9-19-13-2-1-12(17)7-11(13)8-18-19;1-13(14,15)12(19)16-9-7-10(18)17-11(9)8-5-3-2-4-6-8;1-2/h2-8,13,15,17,21,24H,9-12,14,16H2,1H3,(H,33,37);1-2,7-8,10H,3-6,9H2;2-6,9,11H,7H2,1H3,(H,16,19)(H,17,18);2H2,1H3/t21-,24+;;9-,11+;/m0.0./s1.
What are the key properties of N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine?
N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine has a molecular weight of 1192.05 g/mol, XLogP of 10.91, 11 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2R,3S)-1-[1-[(4,4-difluorocyclohexyl)methyl]indazol-5-yl]-5-oxo-2-phenylpyrrolidin-3-yl]-2,2-difluoropropanamide;1-[(4,4-difluorocyclohexyl)methyl]-5-iodoindazole;2,2-difluoro-N-[(2R,3S)-5-oxo-2-phenylpyrrolidin-3-yl]propanamide;methanamine is sourced from PubChem (CID 165097584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).