2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone

C18H18N4O2 — CID 100753045

IUPAC2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(9-13-10-21-16-4-2-1-3-15(13)16)22-8-5-14(12-22)24-17-11-19-6-7-20-17/h1-4,6-7,10-11,14,21H,5,8-9,12H2/t14-/m0/s1
InChIKeyUPXNVBPPYZQHGK-AWEZNQCLSA-N
MW322.37 g/mol
LogP2.18
Rot. Bonds4

About 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone

2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone (PubChem CID 100753045) has the molecular formula C18H18N4O2 and a molecular weight of 322.37 g/mol. Its IUPAC name is 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone
PubChem CID100753045
Molecular FormulaC18H18N4O2
Molecular Weight322.37 g/mol
Exact Mass322.14
IUPAC Name2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone
SMILESO=C(Cc1c[nH]c2ccccc12)N1CC[C@H](Oc2cnccn2)C1
InChIInChI=1S/C18H18N4O2/c23-18(9-13-10-21-16-4-2-1-3-15(13)16)22-8-5-14(12-22)24-17-11-19-6-7-20-17/h1-4,6-7,10-11,14,21H,5,8-9,12H2/t14-/m0/s1
InChIKeyUPXNVBPPYZQHGK-AWEZNQCLSA-N
XLogP2.18
TPSA71.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.37
LogP ≤ 52.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 5327734
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N-Desmethyl ruboxistaurin
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(18S)-18-[(4-methylpiperazin-1-yl)methyl]-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
CID 10768377
[5-[6-[2-(dimethylamino)ethoxy]pyrazin-2-yl]-1H-indol-3-yl]-phenylmethanone
CID 90656769
2-(1H-indol-3-yl)-N-(4-morpholin-4-ylphenyl)acetamide
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CID 40466987
2-(3-Ethoxyquinoxalin-5-yl)-1,5,6,7-tetrahydropyrrolo[3,2-c]pyridin-4-one
CID 71730369
18-(Methylaminomethyl)-17-oxa-4,14,21-triazahexacyclo[19.6.1.17,14.02,6.08,13.022,27]nonacosa-1(28),2(6),7(29),8,10,12,22,24,26-nonaene-3,5-dione
CID 54543568
2-(1H-indol-3-yl)-N-(2-morpholin-4-ylphenyl)acetamide
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Frequently Asked Questions

What is the IUPAC name of 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone?
The IUPAC name of 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone (CID 100753045) is 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone.
What is the SMILES notation for 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone?
The canonical SMILES for 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone is O=C(Cc1c[nH]c2ccccc12)N1CC[C@H](Oc2cnccn2)C1.
What is the InChIKey of 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone?
The InChIKey is UPXNVBPPYZQHGK-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H18N4O2/c23-18(9-13-10-21-16-4-2-1-3-15(13)16)22-8-5-14(12-22)24-17-11-19-6-7-20-17/h1-4,6-7,10-11,14,21H,5,8-9,12H2/t14-/m0/s1.
What are the key properties of 2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone?
2-(1H-indol-3-yl)-1-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone has a molecular weight of 322.37 g/mol, XLogP of 2.18, 4 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-[(3S)-3-pyrazin-2-yloxypyrrolidin-1-yl]ethanone is sourced from PubChem (CID 100753045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).