N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide

C24H19F5N4O2 — CID 156574233

IUPACN-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide
SMILESC[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)nc2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19F5N4O2/c1-13(32-23(34)24(2,28)29)22(14-7-16(25)10-17(26)8-14)35-19-4-5-20-15(9-19)11-31-33(20)18-3-6-21(27)30-12-18/h3-13,22H,1-2H3,(H,32,34)/t13-,22-/m0/s1
InChIKeyQMCLPKWQGXYIEP-XMHCIUCPSA-N
MW490.43 g/mol
LogP5.12
Rot. Bonds7

About N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide

N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide (PubChem CID 156574233) has the molecular formula C24H19F5N4O2 and a molecular weight of 490.43 g/mol. Its IUPAC name is N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide.

Molecular Properties

Compound NameN-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide
PubChem CID156574233
Molecular FormulaC24H19F5N4O2
Molecular Weight490.43 g/mol
Exact Mass490.14
IUPAC NameN-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide
SMILESC[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)nc2)c1)c1cc(F)cc(F)c1
InChIInChI=1S/C24H19F5N4O2/c1-13(32-23(34)24(2,28)29)22(14-7-16(25)10-17(26)8-14)35-19-4-5-20-15(9-19)11-31-33(20)18-3-6-21(27)30-12-18/h3-13,22H,1-2H3,(H,32,34)/t13-,22-/m0/s1
InChIKeyQMCLPKWQGXYIEP-XMHCIUCPSA-N
XLogP5.12
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500490.43
LogP ≤ 55.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(furan-3-yl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide
CID 156574032
N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-([1,2,4]triazolo[4,3-a]pyridin-6-yl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide
CID 156574143
N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(2,3-dihydro-1-benzofuran-5-yl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide
CID 156574072
N-[(1R,2S)-1-(3-chloro-5-fluorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide;methane
CID 157112280
2,2-difluoro-N-[(1R,2S)-1-(5-fluoro-2-methylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]propanamide;methane
CID 159493329
2,2,2-trifluoro-N-[1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-phenylpropan-2-yl]acetamide
CID 91274945
3-[5-[(1R,2S)-2-(2,2-difluoropropanoylamino)-1-phenylpropoxy]indazol-1-yl]benzamide
CID 57432099
N-[(2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2-dimethylpropanamide
CID 69004993
N-[1-(4-ethylphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2,2,2-trifluoroacetamide
CID 74388636
2,2,2-trifluoro-N-[(1R,2S)-1-[1-(4-fluorophenyl)indazol-5-yl]oxy-1-(3-hydroxyphenyl)propan-2-yl]acetamide
CID 25012028
N-[(1R,2S)-1-(3-chlorophenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-fluoro-2-methylpropanamide;methane
CID 159332447
2-fluoro-N-[(1R,2S)-1-(3-fluoro-4-methoxyphenyl)-1-[1-(4-fluorophenyl)indazol-5-yl]oxypropan-2-yl]-2-methylpropanamide
CID 59339893

Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide?
The IUPAC name of N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide (CID 156574233) is N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide.
What is the SMILES notation for N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide?
The canonical SMILES for N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide is C[C@H](NC(=O)C(C)(F)F)[C@H](Oc1ccc2c(cnn2-c2ccc(F)nc2)c1)c1cc(F)cc(F)c1.
What is the InChIKey of N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide?
The InChIKey is QMCLPKWQGXYIEP-XMHCIUCPSA-N. The full InChI is InChI=1S/C24H19F5N4O2/c1-13(32-23(34)24(2,28)29)22(14-7-16(25)10-17(26)8-14)35-19-4-5-20-15(9-19)11-31-33(20)18-3-6-21(27)30-12-18/h3-13,22H,1-2H3,(H,32,34)/t13-,22-/m0/s1.
What are the key properties of N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide?
N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide has a molecular weight of 490.43 g/mol, XLogP of 5.12, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-1-(3,5-difluorophenyl)-1-[1-(6-fluoro-3-pyridinyl)indazol-5-yl]oxypropan-2-yl]-2,2-difluoropropanamide is sourced from PubChem (CID 156574233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).