[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

C20H24N4O2 — CID 42196638

IUPAC[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1
InChIInChI=1S/C20H24N4O2/c1-26-14-15-5-4-9-24(12-15)20(25)18-11-17(21-22-18)13-23-10-8-16-6-2-3-7-19(16)23/h2-3,6-8,10-11,15H,4-5,9,12-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyGXSBEJIOLWAJIH-HNNXBMFYSA-N
MW352.44 g/mol
LogP2.91
Rot. Bonds5

About [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone

[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (PubChem CID 42196638) has the molecular formula C20H24N4O2 and a molecular weight of 352.44 g/mol. Its IUPAC name is [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
PubChem CID42196638
Molecular FormulaC20H24N4O2
Molecular Weight352.44 g/mol
Exact Mass352.19
IUPAC Name[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone
SMILESCOC[C@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1
InChIInChI=1S/C20H24N4O2/c1-26-14-15-5-4-9-24(12-15)20(25)18-11-17(21-22-18)13-23-10-8-16-6-2-3-7-19(16)23/h2-3,6-8,10-11,15H,4-5,9,12-14H2,1H3,(H,21,22)/t15-/m0/s1
InChIKeyGXSBEJIOLWAJIH-HNNXBMFYSA-N
XLogP2.91
TPSA63.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[(2S)-2-(hydroxymethyl)pyrrolidin-1-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 26398742
[(3aR,7aS)-5-methyl-1,3,3a,4,7,7a-hexahydroisoindol-2-yl]-[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]methanone
CID 56743412
[5-[(5,6-dimethylbenzimidazol-1-yl)methyl]-1H-pyrazol-3-yl]-[3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 45180798
[3-[(3-methoxyphenoxy)methyl]piperidin-1-yl]-(5-methyl-1H-pyrazol-3-yl)methanone
CID 56879058
(3-aminopiperidin-1-yl)-(5-ethyl-1H-pyrazol-3-yl)methanone
CID 119381090
[3-(methoxymethyl)piperidin-1-yl]-[6-(propan-2-ylamino)-2-pyridinyl]methanone
CID 106589203
1H-indol-6-yl-[(3R)-3-(methoxymethyl)piperidin-1-yl]methanone
CID 94658936
1H-indol-6-yl-[3-(methoxymethyl)piperidin-1-yl]methanone
CID 56724316
2-indol-1-yl-1-[3-(phenoxymethyl)piperidin-1-yl]ethanone
CID 86971243
[5-[(2-chloro-4-methoxyphenoxy)methyl]-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)pyrrolidin-1-yl]methanone
CID 42196298
[(3S)-3-(methoxymethyl)piperidin-1-yl]-[1-[(2-methylphenyl)methyl]triazol-4-yl]methanone
CID 26337295
5-[3-(methoxymethyl)piperidine-1-carbonyl]pyrazine-2-carboxylic acid
CID 120685568

Frequently Asked Questions

What is the IUPAC name of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The IUPAC name of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone (CID 42196638) is [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone.
What is the SMILES notation for [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The canonical SMILES for [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is COC[C@H]1CCCN(C(=O)c2cc(Cn3ccc4ccccc43)[nH]n2)C1.
What is the InChIKey of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
The InChIKey is GXSBEJIOLWAJIH-HNNXBMFYSA-N. The full InChI is InChI=1S/C20H24N4O2/c1-26-14-15-5-4-9-24(12-15)20(25)18-11-17(21-22-18)13-23-10-8-16-6-2-3-7-19(16)23/h2-3,6-8,10-11,15H,4-5,9,12-14H2,1H3,(H,21,22)/t15-/m0/s1.
What are the key properties of [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone?
[5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone has a molecular weight of 352.44 g/mol, XLogP of 2.91, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(indol-1-ylmethyl)-1H-pyrazol-3-yl]-[(3S)-3-(methoxymethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 42196638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).