1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone

C24H23N5O3 — CID 143940769

IUPAC1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(CO)ccc2Oc2ccc3[nH]c(-c4cnccn4)cc3c2)C1
InChIInChI=1S/C24H23N5O3/c1-15(31)29-9-6-16(13-29)24-23(5-2-18(14-30)27-24)32-19-3-4-20-17(10-19)11-21(28-20)22-12-25-7-8-26-22/h2-5,7-8,10-12,16,28,30H,6,9,13-14H2,1H3
InChIKeyGOOJMSBHZTWCCF-UHFFFAOYSA-N
MW429.48 g/mol
LogP3.64
Rot. Bonds5

About 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone

1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone (PubChem CID 143940769) has the molecular formula C24H23N5O3 and a molecular weight of 429.48 g/mol. Its IUPAC name is 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone
PubChem CID143940769
Molecular FormulaC24H23N5O3
Molecular Weight429.48 g/mol
Exact Mass429.18
IUPAC Name1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone
SMILESCC(=O)N1CCC(c2nc(CO)ccc2Oc2ccc3[nH]c(-c4cnccn4)cc3c2)C1
InChIInChI=1S/C24H23N5O3/c1-15(31)29-9-6-16(13-29)24-23(5-2-18(14-30)27-24)32-19-3-4-20-17(10-19)11-21(28-20)22-12-25-7-8-26-22/h2-5,7-8,10-12,16,28,30H,6,9,13-14H2,1H3
InChIKeyGOOJMSBHZTWCCF-UHFFFAOYSA-N
XLogP3.64
TPSA104.23 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.48
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

1-[(2R)-2-[5-[[6-(methoxymethyl)-3-pyridinyl]oxy]-2-pyrazin-2-yl-1H-indol-6-yl]pyrrolidin-1-yl]ethanone
CID 44815983
1-[5-[[6-[(2R)-1-acetylpyrrolidin-2-yl]-2-pyrazin-2-yl-1H-indol-5-yl]oxy]-2-pyridinyl]butan-1-one
CID 149040417
1-[3-[2-(pyrazin-2-ylamino)pyrimidin-4-yl]pyrrolidin-1-yl]ethanone
CID 118740404
1-[(3S)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825262
1-[(3R)-3-(6-pyridin-3-yloxy-2-pyridinyl)piperidin-1-yl]ethanone
CID 95825263
2-pyrazin-2-yl-4-[1-(2-pyridin-3-yloxyacetyl)piperidin-4-yl]-1H-pyrimidin-6-one
CID 136881384
1-[(3R)-3-[3-(4-fluorophenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821906
1-[(3S)-3-[3-(3-methylphenoxy)pyrazin-2-yl]piperidin-1-yl]ethanone
CID 95821922
2-(2-methoxy-5-methylphenyl)-1-[(3S)-3-(5-pyrazin-2-yl-1,3,4-oxadiazol-2-yl)pyrrolidin-1-yl]ethanone
CID 92556137
1-[2-[6-[[6-(hydroxymethyl)-3-pyridinyl]oxy]-2-pyridin-2-yl-3H-benzimidazol-5-yl]pyrrolidin-1-yl]ethanone
CID 23145233
1-[(3R)-3-(2-aminopyrimidin-4-yl)pyrrolidin-1-yl]ethanone
CID 95841354
1-(3-pyridin-3-yloxypyrrolidin-1-yl)ethanone
CID 59581393

Frequently Asked Questions

What is the IUPAC name of 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The IUPAC name of 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone (CID 143940769) is 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone.
What is the SMILES notation for 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The canonical SMILES for 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone is CC(=O)N1CCC(c2nc(CO)ccc2Oc2ccc3[nH]c(-c4cnccn4)cc3c2)C1.
What is the InChIKey of 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
The InChIKey is GOOJMSBHZTWCCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O3/c1-15(31)29-9-6-16(13-29)24-23(5-2-18(14-30)27-24)32-19-3-4-20-17(10-19)11-21(28-20)22-12-25-7-8-26-22/h2-5,7-8,10-12,16,28,30H,6,9,13-14H2,1H3.
What are the key properties of 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone?
1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone has a molecular weight of 429.48 g/mol, XLogP of 3.64, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[6-(hydroxymethyl)-3-[(2-pyrazin-2-yl-1H-indol-5-yl)oxy]-2-pyridinyl]pyrrolidin-1-yl]ethanone is sourced from PubChem (CID 143940769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).