6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one

C17H19N5O2S — CID 67370380

IUPAC6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
SMILESCCC12CCCN1c1nc(CC(=O)c3nccs3)ncc1N(C)C2=O
InChIInChI=1S/C17H19N5O2S/c1-3-17-5-4-7-22(17)14-11(21(2)16(17)24)10-19-13(20-14)9-12(23)15-18-6-8-25-15/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyBHQLOCPHAYNKMX-UHFFFAOYSA-N
MW357.44 g/mol
LogP2.08
Rot. Bonds4

About 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one

6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one (PubChem CID 67370380) has the molecular formula C17H19N5O2S and a molecular weight of 357.44 g/mol. Its IUPAC name is 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
PubChem CID67370380
Molecular FormulaC17H19N5O2S
Molecular Weight357.44 g/mol
Exact Mass357.13
IUPAC Name6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
SMILESCCC12CCCN1c1nc(CC(=O)c3nccs3)ncc1N(C)C2=O
InChIInChI=1S/C17H19N5O2S/c1-3-17-5-4-7-22(17)14-11(21(2)16(17)24)10-19-13(20-14)9-12(23)15-18-6-8-25-15/h6,8,10H,3-5,7,9H2,1-2H3
InChIKeyBHQLOCPHAYNKMX-UHFFFAOYSA-N
XLogP2.08
TPSA79.29 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.44
LogP ≤ 52.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one with MolForge

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Related Compounds

7-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8-propan-2-yl-7H-pteridin-6-one
CID 67253848
2-chloro-6a-ethyl-5-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-h]pteridin-6-one;methane
CID 158651053
2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 67261042
2-[2-(2,4-difluorophenyl)-2-oxoethyl]-6a-ethyl-5-methyl-9,10-dihydro-7H-[1,4]oxazino[3,4-h]pteridin-6-one
CID 58405852
(6aS)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one;(6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one;methane
CID 162104968
6a-ethyl-5-methyl-2-(2-pyridin-2-ylimidazol-1-yl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 67260386
(6aS)-6a-ethyl-5-methyl-2-[2-(3-pyridin-3-ylphenyl)imidazol-1-yl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 58405346
7,13-diethyl-9-methyl-14-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-5-oxa-2,9,15-triazatricyclo[8.5.0.02,7]pentadeca-1(15),10,13-trien-8-one
CID 163461188
2-ethyl-1-(1,3-thiazol-2-yl)pyrrolidine-2-carboxylic acid
CID 83071091
2-(3-methylimidazol-4-yl)-1-(1,3-thiazol-2-yl)ethanone
CID 18324407
6a-ethyl-2-[2-(3-fluorophenyl)imidazol-1-yl]-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one;2-chloro-6a-ethyl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one;2-(3-fluorophenyl)-1H-imidazole
CID 159887290
2-chloro-1-(1,3-thiazol-2-yl)ethanone
CID 22498777

Frequently Asked Questions

What is the IUPAC name of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one (CID 67370380) is 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one is CCC12CCCN1c1nc(CC(=O)c3nccs3)ncc1N(C)C2=O.
What is the InChIKey of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The InChIKey is BHQLOCPHAYNKMX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O2S/c1-3-17-5-4-7-22(17)14-11(21(2)16(17)24)10-19-13(20-14)9-12(23)15-18-6-8-25-15/h6,8,10H,3-5,7,9H2,1-2H3.
What are the key properties of 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one has a molecular weight of 357.44 g/mol, XLogP of 2.08, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-ethyl-5-methyl-2-[2-oxo-2-(1,3-thiazol-2-yl)ethyl]-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 67370380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).