2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine

C20H20ClN3O3 — CID 11773572

IUPAC2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2cc(C)nn2-c2cccc(Cl)n2)cc1O[C@H]1CCCO1
InChIInChI=1S/C20H20ClN3O3/c1-13-11-15(24(23-13)19-6-3-5-18(21)22-19)14-8-9-16(25-2)17(12-14)27-20-7-4-10-26-20/h3,5-6,8-9,11-12,20H,4,7,10H2,1-2H3/t20-/m0/s1
InChIKeyLXPVRRBLMGXQSZ-FQEVSTJZSA-N
MW385.85 g/mol
LogP4.42
Rot. Bonds5

About 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine

2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine (PubChem CID 11773572) has the molecular formula C20H20ClN3O3 and a molecular weight of 385.85 g/mol. Its IUPAC name is 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine.

Molecular Properties

Compound Name2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine
PubChem CID11773572
Molecular FormulaC20H20ClN3O3
Molecular Weight385.85 g/mol
Exact Mass385.12
IUPAC Name2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine
SMILESCOc1ccc(-c2cc(C)nn2-c2cccc(Cl)n2)cc1O[C@H]1CCCO1
InChIInChI=1S/C20H20ClN3O3/c1-13-11-15(24(23-13)19-6-3-5-18(21)22-19)14-8-9-16(25-2)17(12-14)27-20-7-4-10-26-20/h3,5-6,8-9,11-12,20H,4,7,10H2,1-2H3/t20-/m0/s1
InChIKeyLXPVRRBLMGXQSZ-FQEVSTJZSA-N
XLogP4.42
TPSA58.40 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.85
LogP ≤ 54.42
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

1-benzyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazole
CID 11314519
1-(2,3-dimethylphenyl)-3-ethyl-5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazole
CID 11269373
ethyl 1-benzyl-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole-3-carboxylate
CID 21106863
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]pyridine
CID 11175564
1-[(2,3-difluorophenyl)methyl]-5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazole
CID 21106724
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]acetic acid
CID 21106837
4-[[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]methyl]aniline
CID 11257068
ethyl 2-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-(trifluoromethyl)pyrazol-1-yl]acetate
CID 11395869
2-[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]pyrazol-1-yl]-N-phenylacetamide
CID 21106798
[5-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-3-(trifluoromethyl)pyrazol-1-yl] 3-methylbutanoate
CID 91238727
1-(3,4-dihydro-1H-isoquinolin-2-yl)-2-[3-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]pyrazol-1-yl]ethanone
CID 11362524
N,N-diethyl-2-[3-[4-methoxy-3-(oxolan-2-yloxy)phenyl]-1H-pyrazol-5-yl]acetamide
CID 91546462

Frequently Asked Questions

What is the IUPAC name of 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine?
The IUPAC name of 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine (CID 11773572) is 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine.
What is the SMILES notation for 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine?
The canonical SMILES for 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine is COc1ccc(-c2cc(C)nn2-c2cccc(Cl)n2)cc1O[C@H]1CCCO1.
What is the InChIKey of 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine?
The InChIKey is LXPVRRBLMGXQSZ-FQEVSTJZSA-N. The full InChI is InChI=1S/C20H20ClN3O3/c1-13-11-15(24(23-13)19-6-3-5-18(21)22-19)14-8-9-16(25-2)17(12-14)27-20-7-4-10-26-20/h3,5-6,8-9,11-12,20H,4,7,10H2,1-2H3/t20-/m0/s1.
What are the key properties of 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine?
2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine has a molecular weight of 385.85 g/mol, XLogP of 4.42, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloro-6-[5-[4-methoxy-3-[(2S)-oxolan-2-yl]oxyphenyl]-3-methylpyrazol-1-yl]pyridine is sourced from PubChem (CID 11773572), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).