4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine

C20H21ClN4O — CID 22037499

IUPAC4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
SMILESCN1CCC(Oc2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21ClN4O/c1-25-12-8-17(9-13-25)26-20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-16(21)5-3-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyWSKNUXIHCASMAJ-UHFFFAOYSA-N
MW368.87 g/mol
LogP4.27
Rot. Bonds4

About 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine

4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine (PubChem CID 22037499) has the molecular formula C20H21ClN4O and a molecular weight of 368.87 g/mol. Its IUPAC name is 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine.

Molecular Properties

Compound Name4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
PubChem CID22037499
Molecular FormulaC20H21ClN4O
Molecular Weight368.87 g/mol
Exact Mass368.14
IUPAC Name4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine
SMILESCN1CCC(Oc2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1
InChIInChI=1S/C20H21ClN4O/c1-25-12-8-17(9-13-25)26-20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-16(21)5-3-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,24)
InChIKeyWSKNUXIHCASMAJ-UHFFFAOYSA-N
XLogP4.27
TPSA54.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.87
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[4-methoxyphenyl]-4-(3-pyridin-2-yl-1H-pyrazol-4-yl)pyridine
CID 9901964
6-Amino-3-(4-ethoxyphenyl)-4-(pyridin-3-yl)-1,4-dihydropyrano[2,3-c]pyrazole-5-carbonitrile
CID 664707
3-[5-(4-Chloro-phenyl)-pyridin-2-ylethynyl]-6-(2-pyrrolidin-1-yl-ethoxy)-pyridazine
CID 10386529
2-(4-(2-cyclohexylethoxy)phenyl)-4-(3-(pyridin-2-yl)-1H-pyrazol-4-yl)pyridine
CID 11495553
2-{4-[(2-chloroethyl)oxy]phenyl}-4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]pyridine
CID 11625025
dimethyl-{2-[(4-{4-[3-(pyridin-2-yl)-1H-pyrazol-4-yl]-2-pyridinyl}phenyl)oxy]ethyl}amine
CID 11682470
2-[4-(2-piperidin-1-ylethoxy)phenyl]-4-(1H-pyrazol-5-yl)pyridine
CID 89684547
3-{[(1-{[3-(2-fluoro-4-methoxyphenyl)-1H-pyrazol-4-yl]methyl}piperidin-4-yl)oxy]methyl}pyridine
CID 16187808
N,N-dimethyl-3-[[5-[4-(5-pyridin-2-yl-1H-pyrazol-4-yl)-2-pyridinyl]-2-pyridinyl]oxy]propan-1-amine
CID 56677286
13-Methyl-11-pyridin-3-yl-17-oxa-2,14,15-triazatetracyclo[8.7.0.03,8.012,16]heptadeca-1,3(8),9,12,15-pentaen-9-amine
CID 145961624
3-methyl-4-(1-methylpiperidin-4-yl)oxy-2H-pyrazolo[4,3-c]pyridine
CID 59619113
3-(2,6-dimethyl-4-pyridinyl)-4-(oxan-4-yloxy)-1H-pyrazolo[4,3-c]pyridine
CID 56942364

Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine?
The IUPAC name of 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine (CID 22037499) is 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine.
What is the SMILES notation for 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine?
The canonical SMILES for 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine is CN1CCC(Oc2n[nH]c(-c3ccc(Cl)cc3)c2-c2ccncc2)CC1.
What is the InChIKey of 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine?
The InChIKey is WSKNUXIHCASMAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21ClN4O/c1-25-12-8-17(9-13-25)26-20-18(14-6-10-22-11-7-14)19(23-24-20)15-2-4-16(21)5-3-15/h2-7,10-11,17H,8-9,12-13H2,1H3,(H,23,24).
What are the key properties of 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine?
4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine has a molecular weight of 368.87 g/mol, XLogP of 4.27, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-chlorophenyl)-3-(1-methylpiperidin-4-yl)oxy-1H-pyrazol-4-yl]pyridine is sourced from PubChem (CID 22037499), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).