5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine

C22H26ClF2N3O2 — CID 144629737

IUPAC5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine
SMILESCOc1cc(N2CCC(Oc3cc(F)c(N4CCCC4)c(F)c3)C(C)C2)c(Cl)cn1
InChIInChI=1S/C22H26ClF2N3O2/c1-14-13-28(19-11-21(29-2)26-12-16(19)23)8-5-20(14)30-15-9-17(24)22(18(25)10-15)27-6-3-4-7-27/h9-12,14,20H,3-8,13H2,1-2H3
InChIKeyOOBZRWKADJYATE-UHFFFAOYSA-N
MW437.92 g/mol
LogP4.92
Rot. Bonds5

About 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine

5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine (PubChem CID 144629737) has the molecular formula C22H26ClF2N3O2 and a molecular weight of 437.92 g/mol. Its IUPAC name is 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine.

Molecular Properties

Compound Name5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine
PubChem CID144629737
Molecular FormulaC22H26ClF2N3O2
Molecular Weight437.92 g/mol
Exact Mass437.17
IUPAC Name5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine
SMILESCOc1cc(N2CCC(Oc3cc(F)c(N4CCCC4)c(F)c3)C(C)C2)c(Cl)cn1
InChIInChI=1S/C22H26ClF2N3O2/c1-14-13-28(19-11-21(29-2)26-12-16(19)23)8-5-20(14)30-15-9-17(24)22(18(25)10-15)27-6-3-4-7-27/h9-12,14,20H,3-8,13H2,1-2H3
InChIKeyOOBZRWKADJYATE-UHFFFAOYSA-N
XLogP4.92
TPSA37.83 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.92
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_C(246)', 'substructure': 'N/A'}

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Related Compounds

acetic acid;2-[(4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-pyrrolidin-1-ylpyrazine
CID 144958806
5-chloro-4-[4-[(5-iodo-2-pyridinyl)oxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 118497284
2-[(2S,3S,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-2-fluorophenyl]-4-methoxy-3-methylpyrrolidin-2-yl]acetic acid
CID 90175578
5-chloro-4-[(3R,4R)-4-[4-[(3S,4S)-3,4-dimethyl-5-(trifluoromethyl)-3,4-dihydropyrazol-2-yl]phenoxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 147192727
[(4S)-2-[2-bromo-4-[(3R,4R)-1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methyl-5-(trifluoromethyl)-3,4-dihydropyrazol-3-yl]methanol
CID 122636187
2-[(2S,3S,4S)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-3-fluoro-4-methoxypyrrolidin-2-yl]acetic acid
CID 90175579
2-[(2R,3R,4R)-1-[6-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-fluoro-3-pyridinyl]-3,4-dimethylpyrrolidin-2-yl]acetic acid
CID 130252400
5-chloro-4-[4-[2-fluoro-4-[(2S,3S,4R)-4-(3-methoxypropoxy)-2,3-dimethylpyrrolidin-1-yl]phenoxy]-3-methylpiperidin-1-yl]-2-methoxypyridine
CID 134411018
2-[(2S,3R,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-3-methyl-4-(trifluoromethyl)pyrrolidin-2-yl]acetic acid
CID 90175580
2-[1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-4-methoxypyrrolidin-2-yl]acetic acid
CID 144629716
3-butoxy-2-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxy-5-(3-methylpyrrolidin-1-yl)pyridine
CID 134405157
2-[(2S,3S,4R)-1-[4-[1-(5-chloro-2-methoxy-4-pyridinyl)-3-methylpiperidin-4-yl]oxyphenyl]-3-methyl-4-propoxypyrrolidin-2-yl]acetic acid
CID 90157821

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine?
The IUPAC name of 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine (CID 144629737) is 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine.
What is the SMILES notation for 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine?
The canonical SMILES for 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine is COc1cc(N2CCC(Oc3cc(F)c(N4CCCC4)c(F)c3)C(C)C2)c(Cl)cn1.
What is the InChIKey of 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine?
The InChIKey is OOBZRWKADJYATE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26ClF2N3O2/c1-14-13-28(19-11-21(29-2)26-12-16(19)23)8-5-20(14)30-15-9-17(24)22(18(25)10-15)27-6-3-4-7-27/h9-12,14,20H,3-8,13H2,1-2H3.
What are the key properties of 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine?
5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine has a molecular weight of 437.92 g/mol, XLogP of 4.92, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-[4-(3,5-difluoro-4-pyrrolidin-1-ylphenoxy)-3-methylpiperidin-1-yl]-2-methoxypyridine is sourced from PubChem (CID 144629737), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).