(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

C18H20N4O3 — CID 97119685

IUPAC(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cccc2c3c([nH]c12)CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C3
InChIInChI=1S/C18H20N4O3/c1-10-3-2-4-11-12-9-22(8-7-13(12)19-16(10)11)15(23)6-5-14-17(24)21-18(25)20-14/h2-4,14,19H,5-9H2,1H3,(H2,20,21,24,25)/t14-/m0/s1
InChIKeyWUJSTIHMPGGZKJ-AWEZNQCLSA-N
MW340.38 g/mol
LogP1.35
Rot. Bonds3

About (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione

(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (PubChem CID 97119685) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
PubChem CID97119685
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione
SMILESCc1cccc2c3c([nH]c12)CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C3
InChIInChI=1S/C18H20N4O3/c1-10-3-2-4-11-12-9-22(8-7-13(12)19-16(10)11)15(23)6-5-14-17(24)21-18(25)20-14/h2-4,14,19H,5-9H2,1H3,(H2,20,21,24,25)/t14-/m0/s1
InChIKeyWUJSTIHMPGGZKJ-AWEZNQCLSA-N
XLogP1.35
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'indol_3yl_alk(461)', 'substructure': 'N/A'}, {'alert_name': 'hydantoin', 'substructure': 'N/A'}

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Related Compounds

4-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 46972552
(5S)-5-[3-[3-(2,6-dimethylanilino)-6,7-dihydro-4H-[1,2]oxazolo[4,5-c]pyridin-5-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 92561275
5-[3-(3-ethyl-1,4,6,7-tetrahydropyrazolo[4,3-c]pyridin-5-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 70739520
6-methyl-2-(oxolan-2-ylmethyl)-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 45213585
2-ethyl-6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 65335330
(5R)-5-[3-(4-benzoylpiperazin-1-yl)-3-oxopropyl]imidazolidine-2,4-dione
CID 94150710
(5R)-5-[3-[4-[(3-methylphenyl)methyl]-3-oxopiperazin-1-yl]-3-oxopropyl]imidazolidine-2,4-dione
CID 97118518
(5S)-5-[3-oxo-3-(2-phenyl-6,7-dihydro-4H-[1,3]oxazolo[4,5-c]pyridin-5-yl)propyl]imidazolidine-2,4-dione
CID 170509553
1-(6-bromo-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-2-(2,5-dimethylpyrrol-1-yl)ethanone
CID 127252975
(1-cyanocyclopropyl)carbamic acid;cyclohexyl-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 71205633
(3,5-dimethyl-4H-1,2-oxazol-5-yl)-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 118778382
[5-methyl-4-(pyrrolidin-1-ylmethyl)furan-2-yl]-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)methanone
CID 46970590

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The IUPAC name of (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione (CID 97119685) is (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The canonical SMILES for (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is Cc1cccc2c3c([nH]c12)CCN(C(=O)CC[C@@H]1NC(=O)NC1=O)C3.
What is the InChIKey of (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
The InChIKey is WUJSTIHMPGGZKJ-AWEZNQCLSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-10-3-2-4-11-12-9-22(8-7-13(12)19-16(10)11)15(23)6-5-14-17(24)21-18(25)20-14/h2-4,14,19H,5-9H2,1H3,(H2,20,21,24,25)/t14-/m0/s1.
What are the key properties of (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione?
(5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione has a molecular weight of 340.38 g/mol, XLogP of 1.35, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[3-(6-methyl-1,3,4,5-tetrahydropyrido[4,3-b]indol-2-yl)-3-oxopropyl]imidazolidine-2,4-dione is sourced from PubChem (CID 97119685), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).