[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

C23H26N4O2 — CID 97148857

IUPAC[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1
InChIInChI=1S/C23H26N4O2/c1-29-22-11-3-2-10-21(22)27-17-18(16-25-27)23(28)26-15-7-5-9-20(26)13-12-19-8-4-6-14-24-19/h2-4,6,8,10-11,14,16-17,20H,5,7,9,12-13,15H2,1H3/t20-/m1/s1
InChIKeyWFQUWKNTUWTNOU-HXUWFJFHSA-N
MW390.49 g/mol
LogP3.90
Rot. Bonds6

About [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone

[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (PubChem CID 97148857) has the molecular formula C23H26N4O2 and a molecular weight of 390.49 g/mol. Its IUPAC name is [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
PubChem CID97148857
Molecular FormulaC23H26N4O2
Molecular Weight390.49 g/mol
Exact Mass390.21
IUPAC Name[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
SMILESCOc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1
InChIInChI=1S/C23H26N4O2/c1-29-22-11-3-2-10-21(22)27-17-18(16-25-27)23(28)26-15-7-5-9-20(26)13-12-19-8-4-6-14-24-19/h2-4,6,8,10-11,14,16-17,20H,5,7,9,12-13,15H2,1H3/t20-/m1/s1
InChIKeyWFQUWKNTUWTNOU-HXUWFJFHSA-N
XLogP3.90
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.49
LogP ≤ 53.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone with MolForge

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Related Compounds

[1-(2-methoxyphenyl)pyrazol-4-yl]-(2-pyridin-2-ylpiperidin-1-yl)methanone
CID 70765301
[1-(2-methoxyphenyl)pyrazol-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 131948490
(4-fluoro-3-hydroxyphenyl)-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932075
[4-[2-hydroxyethyl(methyl)amino]phenyl]-[(2S)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone
CID 99932008
(4-methylphenyl)-[2-(pyridin-2-ylmethyl)piperidin-1-yl]methanone
CID 130315704
[(2S)-2-(3-methoxyphenyl)azetidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97119728
[(3R)-3-(2-hydroxyethyl)-4-methylpiperazin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 95885542
[(1R,2S,9R)-7,11-diazatricyclo[7.3.1.02,7]tridecan-11-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 154568541
[(3R)-3-(1-ethylimidazol-2-yl)piperidin-1-yl]-[1-(2-methoxyphenyl)pyrazol-4-yl]methanone
CID 97280069
3-(4-chloropyrazol-1-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]propan-1-one
CID 118773858
[1-(2-methoxyphenyl)pyrazol-4-yl]-[4-(1-methylimidazol-2-yl)piperidin-1-yl]methanone
CID 70786049
2-(2,5-dimethyl-1,3-thiazol-4-yl)-1-[2-(2-pyridin-2-ylethyl)piperidin-1-yl]ethanone
CID 91841533

Frequently Asked Questions

What is the IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The IUPAC name of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone (CID 97148857) is [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The canonical SMILES for [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is COc1ccccc1-n1cc(C(=O)N2CCCC[C@@H]2CCc2ccccn2)cn1.
What is the InChIKey of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
The InChIKey is WFQUWKNTUWTNOU-HXUWFJFHSA-N. The full InChI is InChI=1S/C23H26N4O2/c1-29-22-11-3-2-10-21(22)27-17-18(16-25-27)23(28)26-15-7-5-9-20(26)13-12-19-8-4-6-14-24-19/h2-4,6,8,10-11,14,16-17,20H,5,7,9,12-13,15H2,1H3/t20-/m1/s1.
What are the key properties of [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone?
[1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone has a molecular weight of 390.49 g/mol, XLogP of 3.90, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(2-methoxyphenyl)pyrazol-4-yl]-[(2R)-2-(2-pyridin-2-ylethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 97148857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).