[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate

C24H26FNO6 — CID 170691014

IUPAC[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
SMILESCOc1ccc(C)cc1C1(C(=O)O[C@H]2C(=O)OCC2(C)C)CC1c1cc(F)cnc1OC
InChIInChI=1S/C24H26FNO6/c1-13-6-7-18(29-4)16(8-13)24(22(28)32-19-21(27)31-12-23(19,2)3)10-17(24)15-9-14(25)11-26-20(15)30-5/h6-9,11,17,19H,10,12H2,1-5H3/t17?,19-,24?/m0/s1
InChIKeyKPPKFSPKUMNIGM-MZXKRHHESA-N
MW443.47 g/mol
LogP3.47
Rot. Bonds6

About [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate (PubChem CID 170691014) has the molecular formula C24H26FNO6 and a molecular weight of 443.47 g/mol. Its IUPAC name is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate.

Molecular Properties

Compound Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
PubChem CID170691014
Molecular FormulaC24H26FNO6
Molecular Weight443.47 g/mol
Exact Mass443.17
IUPAC Name[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
SMILESCOc1ccc(C)cc1C1(C(=O)O[C@H]2C(=O)OCC2(C)C)CC1c1cc(F)cnc1OC
InChIInChI=1S/C24H26FNO6/c1-13-6-7-18(29-4)16(8-13)24(22(28)32-19-21(27)31-12-23(19,2)3)10-17(24)15-9-14(25)11-26-20(15)30-5/h6-9,11,17,19H,10,12H2,1-5H3/t17?,19-,24?/m0/s1
InChIKeyKPPKFSPKUMNIGM-MZXKRHHESA-N
XLogP3.47
TPSA83.95 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.47
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 1-(2-methoxy-5-methylphenyl)-2-(6-methoxy-2-methyl-3-pyridinyl)cyclopropane-1-carboxylate
CID 170691007
methyl 1-(2-methoxy-5-methylphenyl)-2-(4-methylphenyl)cyclopropane-1-carboxylate
CID 172843058
trans-methyl (1R,2S)-2-(6-chloro-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate
CID 164571407
trans-methyl (1S,2R)-1-(2-methoxy-5-methylphenyl)-2-phenylcyclopropane-1-carboxylate
CID 162419234
ethane;trans-methyl (1R,2R)-1-(2-methoxy-5-methylphenyl)-2-(6-propyl-2-pyridinyl)cyclopropane-1-carboxylate
CID 177141348
trans-(1R,2R)-2-(6-ethoxy-2-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylic acid
CID 164571501
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] (1R)-5-methoxy-1,2,3,4-tetrahydronaphthalene-1-carboxylate
CID 10663350
methyl 6-(2-methoxy-5-methylphenyl)-5-oxaspiro[2.4]heptane-6-carboxylate
CID 164571562
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 3-pyrazin-2-yloxybenzoate
CID 99809622
1-(2-methoxy-5-methylphenyl)-2-methylcyclopentane-1-carboxylic acid
CID 79679423
methyl 1-(5-fluoro-2-methoxyphenyl)-2,2-dimethylcyclopropane-1-carboxylate
CID 116842814
methyl (1S)-1-(2-methoxy-5-methylphenyl)-2,2-dimethylcyclopentane-1-carboxylate
CID 101227147

Frequently Asked Questions

What is the IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate?
The IUPAC name of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate (CID 170691014) is [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate.
What is the SMILES notation for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate?
The canonical SMILES for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate is COc1ccc(C)cc1C1(C(=O)O[C@H]2C(=O)OCC2(C)C)CC1c1cc(F)cnc1OC.
What is the InChIKey of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate?
The InChIKey is KPPKFSPKUMNIGM-MZXKRHHESA-N. The full InChI is InChI=1S/C24H26FNO6/c1-13-6-7-18(29-4)16(8-13)24(22(28)32-19-21(27)31-12-23(19,2)3)10-17(24)15-9-14(25)11-26-20(15)30-5/h6-9,11,17,19H,10,12H2,1-5H3/t17?,19-,24?/m0/s1.
What are the key properties of [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate?
[(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate has a molecular weight of 443.47 g/mol, XLogP of 3.47, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(3R)-4,4-dimethyl-2-oxooxolan-3-yl] 2-(5-fluoro-2-methoxy-3-pyridinyl)-1-(2-methoxy-5-methylphenyl)cyclopropane-1-carboxylate is sourced from PubChem (CID 170691014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).