5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine

C18H25ClN4O2S — CID 110245365

IUPAC5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
SMILESCCn1cc(CN2CCCC(c3ncc(Cl)cc3S(C)(=O)=O)C2)c(C)n1
InChIInChI=1S/C18H25ClN4O2S/c1-4-23-12-15(13(2)21-23)11-22-7-5-6-14(10-22)18-17(26(3,24)25)8-16(19)9-20-18/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyRKAJIGFKKAVNBS-UHFFFAOYSA-N
MW396.94 g/mol
LogP3.04
Rot. Bonds5

About 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine

5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine (PubChem CID 110245365) has the molecular formula C18H25ClN4O2S and a molecular weight of 396.94 g/mol. Its IUPAC name is 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine.

Molecular Properties

Compound Name5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
PubChem CID110245365
Molecular FormulaC18H25ClN4O2S
Molecular Weight396.94 g/mol
Exact Mass396.14
IUPAC Name5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
SMILESCCn1cc(CN2CCCC(c3ncc(Cl)cc3S(C)(=O)=O)C2)c(C)n1
InChIInChI=1S/C18H25ClN4O2S/c1-4-23-12-15(13(2)21-23)11-22-7-5-6-14(10-22)18-17(26(3,24)25)8-16(19)9-20-18/h8-9,12,14H,4-7,10-11H2,1-3H3
InChIKeyRKAJIGFKKAVNBS-UHFFFAOYSA-N
XLogP3.04
TPSA68.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.94
LogP ≤ 53.04
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-chloro-2-[(3S)-1-[(4-methoxyphenyl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine
CID 92595841
5-[[3-(5-chloro-3-methylsulfonyl-2-pyridinyl)piperidin-1-yl]methyl]-2-propan-2-ylpyrimidine
CID 110234393
5-chloro-3-methylsulfonyl-2-[1-(pyridin-3-ylmethyl)piperidin-3-yl]pyridine
CID 110234375
5-chloro-3-methylsulfonyl-2-[(3S)-1-(pyridin-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603087
5-chloro-3-methylsulfonyl-2-[(3S)-1-(thiophen-2-ylmethyl)piperidin-3-yl]pyridine
CID 92603095
5-chloro-3-methylsulfonyl-2-[(3R)-1-[[(3R)-oxolan-3-yl]methyl]piperidin-3-yl]pyridine
CID 124783682
5-chloro-2-[(3S)-1-(4-chlorophenyl)sulfonylpiperidin-3-yl]-3-methylsulfonylpyridine
CID 95853872
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-4-(2,4,5-trichlorophenyl)sulfonylpiperazine
CID 22208487
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874
N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95813646
4-[(3R)-1-[(1,3-dimethylpyrazol-4-yl)methyl]piperidin-3-yl]-5-methylsulfonylthiadiazole
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Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
The IUPAC name of 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine (CID 110245365) is 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine.
What is the SMILES notation for 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
The canonical SMILES for 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine is CCn1cc(CN2CCCC(c3ncc(Cl)cc3S(C)(=O)=O)C2)c(C)n1.
What is the InChIKey of 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
The InChIKey is RKAJIGFKKAVNBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25ClN4O2S/c1-4-23-12-15(13(2)21-23)11-22-7-5-6-14(10-22)18-17(26(3,24)25)8-16(19)9-20-18/h8-9,12,14H,4-7,10-11H2,1-3H3.
What are the key properties of 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine?
5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine has a molecular weight of 396.94 g/mol, XLogP of 3.04, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-methylsulfonylpyridine is sourced from PubChem (CID 110245365), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).