1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

C25H27N5O — CID 110267944

IUPAC1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1nccn1-c1cccc(C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1
InChIInChI=1S/C25H27N5O/c1-2-23-26-12-14-30(23)24-11-5-10-21(28-24)18-7-6-13-29(17-18)25(31)15-19-16-27-22-9-4-3-8-20(19)22/h3-5,8-12,14,16,18,27H,2,6-7,13,15,17H2,1H3
InChIKeyRIYIGNSJUXKCJB-UHFFFAOYSA-N
MW413.53 g/mol
LogP4.26
Rot. Bonds5

About 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone

1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (PubChem CID 110267944) has the molecular formula C25H27N5O and a molecular weight of 413.53 g/mol. Its IUPAC name is 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.

Molecular Properties

Compound Name1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
PubChem CID110267944
Molecular FormulaC25H27N5O
Molecular Weight413.53 g/mol
Exact Mass413.22
IUPAC Name1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
SMILESCCc1nccn1-c1cccc(C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1
InChIInChI=1S/C25H27N5O/c1-2-23-26-12-14-30(23)24-11-5-10-21(28-24)18-7-6-13-29(17-18)25(31)15-19-16-27-22-9-4-3-8-20(19)22/h3-5,8-12,14,16,18,27H,2,6-7,13,15,17H2,1H3
InChIKeyRIYIGNSJUXKCJB-UHFFFAOYSA-N
XLogP4.26
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.53
LogP ≤ 54.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone with MolForge

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Launch Full Analysis

Related Compounds

[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-phenylmethanone
CID 95838783
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-morpholin-4-ylethanone
CID 110267980
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(1H-pyrazol-5-yl)methanone
CID 95838924
[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-(4-fluorophenyl)methanone
CID 95838774
1-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-3-(4-methoxyphenyl)propan-1-one
CID 95838850
2-[(3R)-3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]acetamide
CID 95815984
2-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-1-morpholin-4-ylethanone
CID 110268056
2-(2-ethylimidazol-1-yl)-6-[(3R)-1-methylpiperidin-3-yl]pyridine
CID 95839018
3-(1H-indol-3-yl)-1-[3-(2-methylpyrimidin-4-yl)piperidin-1-yl]propan-1-one
CID 110115033
2-(2-ethylimidazol-1-yl)-6-[(3S)-1-(4-fluorophenyl)sulfonylpiperidin-3-yl]pyridine
CID 95839090
2-(1H-indol-3-yl)-1-[(3S)-3-[3-(propan-2-ylamino)-1H-pyrazolo[5,4-b]pyridin-6-yl]piperidin-1-yl]ethanone
CID 92630778
1-[(3S)-3-(4-cyclopropyl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-(1H-indol-3-yl)ethanone
CID 124554934

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The IUPAC name of 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone (CID 110267944) is 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone.
What is the SMILES notation for 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The canonical SMILES for 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is CCc1nccn1-c1cccc(C2CCCN(C(=O)Cc3c[nH]c4ccccc34)C2)n1.
What is the InChIKey of 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
The InChIKey is RIYIGNSJUXKCJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27N5O/c1-2-23-26-12-14-30(23)24-11-5-10-21(28-24)18-7-6-13-29(17-18)25(31)15-19-16-27-22-9-4-3-8-20(19)22/h3-5,8-12,14,16,18,27H,2,6-7,13,15,17H2,1H3.
What are the key properties of 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone?
1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone has a molecular weight of 413.53 g/mol, XLogP of 4.26, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(2-ethylimidazol-1-yl)-2-pyridinyl]piperidin-1-yl]-2-(1H-indol-3-yl)ethanone is sourced from PubChem (CID 110267944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).