(5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione

C20H26N4O3 — CID 166935806

IUPAC(5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(O)N2CCN3c4ccccc4C[C@@H]3C2)(C2CC2)N1
InChIInChI=1S/C20H26N4O3/c25-17(7-8-20(14-5-6-14)18(26)21-19(27)22-20)23-9-10-24-15(12-23)11-13-3-1-2-4-16(13)24/h1-4,14-15,17,25H,5-12H2,(H2,21,22,26,27)/t15-,17?,20+/m1/s1
InChIKeyNKMRDETVRAKDMF-GZRWEBKMSA-N
MW370.45 g/mol
LogP0.82
Rot. Bonds5

About (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione

(5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione (PubChem CID 166935806) has the molecular formula C20H26N4O3 and a molecular weight of 370.45 g/mol. Its IUPAC name is (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione
PubChem CID166935806
Molecular FormulaC20H26N4O3
Molecular Weight370.45 g/mol
Exact Mass370.20
IUPAC Name(5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione
SMILESO=C1NC(=O)[C@](CCC(O)N2CCN3c4ccccc4C[C@@H]3C2)(C2CC2)N1
InChIInChI=1S/C20H26N4O3/c25-17(7-8-20(14-5-6-14)18(26)21-19(27)22-20)23-9-10-24-15(12-23)11-13-3-1-2-4-16(13)24/h1-4,14-15,17,25H,5-12H2,(H2,21,22,26,27)/t15-,17?,20+/m1/s1
InChIKeyNKMRDETVRAKDMF-GZRWEBKMSA-N
XLogP0.82
TPSA84.91 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.45
LogP ≤ 50.82
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

(5S)-5-[3-(8-chloro-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166935603
(5S)-5-cyclopropyl-5-[3-oxo-3-[7-(trifluoromethyl)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]propyl]imidazolidine-2,4-dione
CID 166935727
5-cyclopropyl-5-[3-[(3R)-3-methyl-4-phenylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437710
5-[1-(2,3-dihydro-1-benzofuran-2-carbonyl)piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45190692
(5S)-5-[3-(7-chloro-1,2,4,5-tetrahydro-3-benzazepin-3-yl)-3-oxopropyl]-5-cyclopropylimidazolidine-2,4-dione
CID 166705295
5-cyclopropyl-5-[3-[(3S)-4-(3,4-dichlorophenyl)-3-methylpiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 121437603
5-(2-phenylethyl)-5-piperidin-4-ylimidazolidine-2,4-dione
CID 56715890
(5R)-5-[1-[(E)-3-(4-chlorophenyl)prop-2-enoyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42210327
(5S)-5-[1-[2-(3-chlorophenyl)acetyl]piperidin-4-yl]-5-(3-methylbutyl)imidazolidine-2,4-dione
CID 42454799
(2S)-1-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-2-(4-cyclohexylpiperazin-1-yl)propan-1-one
CID 86582464
2,3,3a,4-tetrahydro-1H-pyrrolo[1,2-a]indole
CID 11744913
5-[1-[(3,5-difluorophenyl)methyl]piperidin-4-yl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 45188706

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione (CID 166935806) is (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione is O=C1NC(=O)[C@](CCC(O)N2CCN3c4ccccc4C[C@@H]3C2)(C2CC2)N1.
What is the InChIKey of (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione?
The InChIKey is NKMRDETVRAKDMF-GZRWEBKMSA-N. The full InChI is InChI=1S/C20H26N4O3/c25-17(7-8-20(14-5-6-14)18(26)21-19(27)22-20)23-9-10-24-15(12-23)11-13-3-1-2-4-16(13)24/h1-4,14-15,17,25H,5-12H2,(H2,21,22,26,27)/t15-,17?,20+/m1/s1.
What are the key properties of (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione?
(5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione has a molecular weight of 370.45 g/mol, XLogP of 0.82, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-[(10aR)-3,4,10,10a-tetrahydro-1H-pyrazino[1,2-a]indol-2-yl]-3-hydroxypropyl]-5-cyclopropylimidazolidine-2,4-dione is sourced from PubChem (CID 166935806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).