7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

C23H24N4O4 — CID 172658963

IUPAC7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C23H24N4O4/c1-15-6-8-25(9-7-16-12-24-19-5-3-2-4-18(16)19)21(28)20(15)22(29)26-10-11-27-17(13-26)14-31-23(27)30/h2-6,8,12,17,24H,7,9-11,13-14H2,1H3
InChIKeyKGWYOJHRXWUGTD-UHFFFAOYSA-N
MW420.47 g/mol
LogP2.16
Rot. Bonds4

About 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one

7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (PubChem CID 172658963) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.

Molecular Properties

Compound Name7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
PubChem CID172658963
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
SMILESCc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCN2C(=O)OCC2C1
InChIInChI=1S/C23H24N4O4/c1-15-6-8-25(9-7-16-12-24-19-5-3-2-4-18(16)19)21(28)20(15)22(29)26-10-11-27-17(13-26)14-31-23(27)30/h2-6,8,12,17,24H,7,9-11,13-14H2,1H3
InChIKeyKGWYOJHRXWUGTD-UHFFFAOYSA-N
XLogP2.16
TPSA87.64 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one with MolForge

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Related Compounds

1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-morpholin-4-ylazetidine-1-carbonyl)pyridin-2-one
CID 172657082
1-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]piperidine-4-carbonitrile
CID 172667155
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(3-methyl-6,8-dihydro-5H-[1,2,4]triazolo[4,3-a]pyrazine-7-carbonyl)pyridin-2-one
CID 172659463
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-3-(2-methylpiperazine-1-carbonyl)pyridin-2-one
CID 172660787
7-(3-methyl-1H-indole-2-carbonyl)-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one
CID 119067289
N-[[4-(hydroxymethyl)phenyl]methyl]-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carboxamide
CID 175641174
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(1-propylpiperidin-4-yl)pyridine-3-carboxamide
CID 172664377
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-[2-(1,2,4-triazol-4-yl)ethyl]pyridine-3-carboxamide
CID 172669885
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-[(1R,5S,6R)-2-oxabicyclo[3.2.0]heptan-6-yl]-2-oxopyridine-3-carboxamide
CID 172672931
1-[2-(1H-indol-3-yl)ethyl]-4-methyl-N-(2-morpholin-3-ylethyl)-2-oxopyridine-3-carboxamide
CID 172657411
N-(cyclopropylmethyl)-1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxo-N-(oxolan-2-ylmethyl)pyridine-3-carboxamide
CID 172658576
3-(3-aminopiperidine-1-carbonyl)-6-[2-(1H-indol-3-yl)ethyl]-4-methylpyran-2-one
CID 170509756

Frequently Asked Questions

What is the IUPAC name of 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The IUPAC name of 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one (CID 172658963) is 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one.
What is the SMILES notation for 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The canonical SMILES for 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is Cc1ccn(CCc2c[nH]c3ccccc23)c(=O)c1C(=O)N1CCN2C(=O)OCC2C1.
What is the InChIKey of 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
The InChIKey is KGWYOJHRXWUGTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24N4O4/c1-15-6-8-25(9-7-16-12-24-19-5-3-2-4-18(16)19)21(28)20(15)22(29)26-10-11-27-17(13-26)14-31-23(27)30/h2-6,8,12,17,24H,7,9-11,13-14H2,1H3.
What are the key properties of 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one?
7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one has a molecular weight of 420.47 g/mol, XLogP of 2.16, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[1-[2-(1H-indol-3-yl)ethyl]-4-methyl-2-oxopyridine-3-carbonyl]-5,6,8,8a-tetrahydro-1H-[1,3]oxazolo[3,4-a]pyrazin-3-one is sourced from PubChem (CID 172658963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).