2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

C26H26N4O2 — CID 95819896

IUPAC2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1
InChIInChI=1S/C26H26N4O2/c1-32-21-8-4-6-18(12-21)24-15-27-16-25(29-24)19-7-5-11-30(17-19)26(31)13-20-14-28-23-10-3-2-9-22(20)23/h2-4,6,8-10,12,14-16,19,28H,5,7,11,13,17H2,1H3/t19-/m1/s1
InChIKeyPXRWDZNGQNHMDJ-LJQANCHMSA-N
MW426.52 g/mol
LogP4.58
Rot. Bonds5

About 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (PubChem CID 95819896) has the molecular formula C26H26N4O2 and a molecular weight of 426.52 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
PubChem CID95819896
Molecular FormulaC26H26N4O2
Molecular Weight426.52 g/mol
Exact Mass426.21
IUPAC Name2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
SMILESCOc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1
InChIInChI=1S/C26H26N4O2/c1-32-21-8-4-6-18(12-21)24-15-27-16-25(29-24)19-7-5-11-30(17-19)26(31)13-20-14-28-23-10-3-2-9-22(20)23/h2-4,6,8-10,12,14-16,19,28H,5,7,11,13,17H2,1H3/t19-/m1/s1
InChIKeyPXRWDZNGQNHMDJ-LJQANCHMSA-N
XLogP4.58
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 54.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(1H-indol-3-yl)-1-[(2S)-2-[6-(3-methoxyphenyl)pyrazin-2-yl]morpholin-4-yl]ethanone
CID 124956255
1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyridin-4-ylethanone
CID 95819824
2-hydroxy-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95819992
1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 110255376
2-(4-fluorophenoxy)-1-[3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 110255416
2-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-1-piperidin-1-ylethanone
CID 95819602
[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]-(1-methylpyrazol-4-yl)methanone
CID 95820010
2-(1H-indol-3-yl)-1-[(3S)-3-[5-[2-(4-methoxyphenoxy)ethyl]-1H-pyrazol-3-yl]pyrrolidin-1-yl]ethanone
CID 95831514
cyclobutyl-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]methanone
CID 95809673
1-[(3S)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-3-phenylpropan-1-one
CID 95809371
1-[(3R)-3-[6-(3-methoxyphenyl)-2-pyridinyl]piperidin-1-yl]-2-pyrrolidin-1-ylethanone
CID 95810071
2-(1H-indol-3-yl)-1-[4-[6-[(3-methoxyphenyl)methyl]-2-pyridinyl]piperidin-1-yl]ethanone
CID 95810020

Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone (CID 95819896) is 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is COc1cccc(-c2cncc([C@@H]3CCCN(C(=O)Cc4c[nH]c5ccccc45)C3)n2)c1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
The InChIKey is PXRWDZNGQNHMDJ-LJQANCHMSA-N. The full InChI is InChI=1S/C26H26N4O2/c1-32-21-8-4-6-18(12-21)24-15-27-16-25(29-24)19-7-5-11-30(17-19)26(31)13-20-14-28-23-10-3-2-9-22(20)23/h2-4,6,8-10,12,14-16,19,28H,5,7,11,13,17H2,1H3/t19-/m1/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone has a molecular weight of 426.52 g/mol, XLogP of 4.58, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-indol-3-yl)-1-[(3R)-3-[6-(3-methoxyphenyl)pyrazin-2-yl]piperidin-1-yl]ethanone is sourced from PubChem (CID 95819896), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).