2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine

C26H34N4O — CID 95814383

IUPAC2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
SMILESCCn1cc(CN2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1
InChIInChI=1S/C26H34N4O/c1-5-30-18-24(20(3)28-30)17-29-12-8-10-23(16-29)25-15-21(13-19(2)27-25)14-22-9-6-7-11-26(22)31-4/h6-7,9,11,13,15,18,23H,5,8,10,12,14,16-17H2,1-4H3/t23-/m0/s1
InChIKeyCKMKWQJKWPNWBJ-QHCPKHFHSA-N
MW418.59 g/mol
LogP4.89
Rot. Bonds7

About 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine

2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine (PubChem CID 95814383) has the molecular formula C26H34N4O and a molecular weight of 418.59 g/mol. Its IUPAC name is 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
PubChem CID95814383
Molecular FormulaC26H34N4O
Molecular Weight418.59 g/mol
Exact Mass418.27
IUPAC Name2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine
SMILESCCn1cc(CN2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1
InChIInChI=1S/C26H34N4O/c1-5-30-18-24(20(3)28-30)17-29-12-8-10-23(16-29)25-15-21(13-19(2)27-25)14-22-9-6-7-11-26(22)31-4/h6-7,9,11,13,15,18,23H,5,8,10,12,14,16-17H2,1-4H3/t23-/m0/s1
InChIKeyCKMKWQJKWPNWBJ-QHCPKHFHSA-N
XLogP4.89
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.59
LogP ≤ 54.89
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine with MolForge

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Related Compounds

4-[(2-methoxyphenyl)methyl]-2-methyl-6-[(3R)-1-[(2-methylpyrazol-3-yl)methyl]piperidin-3-yl]pyridine
CID 95814381
4-benzyl-2-[(3R)-1-(1-ethyl-3-methylpyrazol-4-yl)sulfonylpiperidin-3-yl]-6-methylpyridine
CID 95814484
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-1H-pyrrolo[2,3-b]pyridine
CID 92589874
[1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]methanol
CID 43817876
N-[6-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-3-pyridinyl]-3-methylpyridin-2-amine
CID 95813646
[4-[4-[(2-methoxyphenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]-[(2S)-spiro[2.3]hexan-2-yl]methanone
CID 92616998
(3R)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]-3-[(3-methylphenoxy)methyl]piperidine
CID 95889064
2-[(3S)-1-[(2-methoxyphenyl)methyl]piperidin-3-yl]-4,5-dimethyl-1H-pyrimidin-6-one
CID 136735586
1-ethyl-4-[[(3R)-3-[5-[2-(2-fluorophenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]methyl]-3-methylpyrazole
CID 95831706
1-(2-methoxyphenyl)-4-[1-[(3-methyl-1-propylpyrazol-4-yl)methyl]piperidin-3-yl]piperazine
CID 45217219
1-[(3R)-3-[4-[(2-chlorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]ethanone
CID 95814073
(1,3-dimethylpyrazol-4-yl)-[3-[4-[(2-fluorophenyl)methyl]-6-methyl-2-pyridinyl]piperidin-1-yl]methanone
CID 110252635

Frequently Asked Questions

What is the IUPAC name of 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine?
The IUPAC name of 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine (CID 95814383) is 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine.
What is the SMILES notation for 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine?
The canonical SMILES for 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine is CCn1cc(CN2CCC[C@H](c3cc(Cc4ccccc4OC)cc(C)n3)C2)c(C)n1.
What is the InChIKey of 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine?
The InChIKey is CKMKWQJKWPNWBJ-QHCPKHFHSA-N. The full InChI is InChI=1S/C26H34N4O/c1-5-30-18-24(20(3)28-30)17-29-12-8-10-23(16-29)25-15-21(13-19(2)27-25)14-22-9-6-7-11-26(22)31-4/h6-7,9,11,13,15,18,23H,5,8,10,12,14,16-17H2,1-4H3/t23-/m0/s1.
What are the key properties of 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine?
2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine has a molecular weight of 418.59 g/mol, XLogP of 4.89, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(3S)-1-[(1-ethyl-3-methylpyrazol-4-yl)methyl]piperidin-3-yl]-4-[(2-methoxyphenyl)methyl]-6-methylpyridine is sourced from PubChem (CID 95814383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).