3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide

C22H26N4O3 — CID 91909700

IUPAC3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N4O3/c1-29-12-11-26-17(15-25-10-4-7-20(25)22(26)28)14-24-21(27)9-8-16-13-23-19-6-3-2-5-18(16)19/h2-7,10,13,17,23H,8-9,11-12,14-15H2,1H3,(H,24,27)
InChIKeyIQOUXPMTCMKQGU-UHFFFAOYSA-N
MW394.48 g/mol
LogP2.19
Rot. Bonds8

About 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide

3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide (PubChem CID 91909700) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide.

Molecular Properties

Compound Name3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
PubChem CID91909700
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC Name3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide
SMILESCOCCN1C(=O)c2cccn2CC1CNC(=O)CCc1c[nH]c2ccccc12
InChIInChI=1S/C22H26N4O3/c1-29-12-11-26-17(15-25-10-4-7-20(25)22(26)28)14-24-21(27)9-8-16-13-23-19-6-3-2-5-18(16)19/h2-7,10,13,17,23H,8-9,11-12,14-15H2,1H3,(H,24,27)
InChIKeyIQOUXPMTCMKQGU-UHFFFAOYSA-N
XLogP2.19
TPSA79.36 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 52.19
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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CID 33625
Ruboxistaurin
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3-(1-(3-(Dimethylamino)propyl)-1H-indol-3-yl)-4-(1H-indol-3-yl)-1H-pyrrole-2,5-dione
CID 2396
Anamorelin
CID 9828911
Macimorelin
CID 9804938
LY-517717
CID 9939865
Bisindolylmaleimide VIII
CID 2403
FG-7142
CID 4375
Indoramin hydrochloride
CID 38102
Tryptamide
CID 65768
Rhetsinine
CID 99652
Mgb-bp-3
CID 23730143

Frequently Asked Questions

What is the IUPAC name of 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
The IUPAC name of 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide (CID 91909700) is 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide.
What is the SMILES notation for 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
The canonical SMILES for 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide is COCCN1C(=O)c2cccn2CC1CNC(=O)CCc1c[nH]c2ccccc12.
What is the InChIKey of 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
The InChIKey is IQOUXPMTCMKQGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-29-12-11-26-17(15-25-10-4-7-20(25)22(26)28)14-24-21(27)9-8-16-13-23-19-6-3-2-5-18(16)19/h2-7,10,13,17,23H,8-9,11-12,14-15H2,1H3,(H,24,27).
What are the key properties of 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide?
3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide has a molecular weight of 394.48 g/mol, XLogP of 2.19, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-indol-3-yl)-N-[[2-(2-methoxyethyl)-1-oxo-3,4-dihydropyrrolo[1,2-a]pyrazin-3-yl]methyl]propanamide is sourced from PubChem (CID 91909700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).