[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

C17H12F2N2O3 — CID 27010664

IUPAC[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H12F2N2O3/c1-9(16(22)10-6-7-12(18)13(19)8-10)24-17(23)15-11-4-2-3-5-14(11)20-21-15/h2-9H,1H3,(H,20,21)/t9-/m1/s1
InChIKeyYIHAMVAJDKAMDI-SECBINFHSA-N
MW330.29 g/mol
LogP3.27
Rot. Bonds4

About [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate

[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (PubChem CID 27010664) has the molecular formula C17H12F2N2O3 and a molecular weight of 330.29 g/mol. Its IUPAC name is [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.

Molecular Properties

Compound Name[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
PubChem CID27010664
Molecular FormulaC17H12F2N2O3
Molecular Weight330.29 g/mol
Exact Mass330.08
IUPAC Name[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
SMILESC[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccc(F)c(F)c1
InChIInChI=1S/C17H12F2N2O3/c1-9(16(22)10-6-7-12(18)13(19)8-10)24-17(23)15-11-4-2-3-5-14(11)20-21-15/h2-9H,1H3,(H,20,21)/t9-/m1/s1
InChIKeyYIHAMVAJDKAMDI-SECBINFHSA-N
XLogP3.27
TPSA72.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.29
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-1-(4-fluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25345206
(1-oxo-1-phenylpropan-2-yl) 1H-indazole-3-carboxylate
CID 16578204
[(2R)-1-(3-chlorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 25350599
[(2S)-1-(2-methyl-1H-indol-3-yl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7372650
(1-oxo-1-phenylpropan-2-yl) 3,4-difluorobenzoate
CID 55375913
[(2S)-1-(4-chloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2651718
[(2R)-1-[2-(4-fluorophenyl)ethylamino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 7956505
[(2S)-1-(2,5-dichloroanilino)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630737
[(2R)-1-anilino-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2630767
[(2S)-1-[[(1S)-1-(2,4-dichlorophenyl)ethyl]amino]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 2664597
[(2S)-1-(2,3-dihydro-1H-inden-5-yl)-1-oxopropan-2-yl] 4-oxo-3H-phthalazine-1-carboxylate
CID 8785250
[(2S)-1-[5-(acetamidomethyl)thiophen-2-yl]-1-oxopropan-2-yl] 1H-indazole-3-carboxylate
CID 41082501

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The IUPAC name of [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate (CID 27010664) is [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate.
What is the SMILES notation for [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The canonical SMILES for [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is C[C@@H](OC(=O)c1n[nH]c2ccccc12)C(=O)c1ccc(F)c(F)c1.
What is the InChIKey of [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
The InChIKey is YIHAMVAJDKAMDI-SECBINFHSA-N. The full InChI is InChI=1S/C17H12F2N2O3/c1-9(16(22)10-6-7-12(18)13(19)8-10)24-17(23)15-11-4-2-3-5-14(11)20-21-15/h2-9H,1H3,(H,20,21)/t9-/m1/s1.
What are the key properties of [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate?
[(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate has a molecular weight of 330.29 g/mol, XLogP of 3.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-(3,4-difluorophenyl)-1-oxopropan-2-yl] 1H-indazole-3-carboxylate is sourced from PubChem (CID 27010664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).