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

C19H19ClN6OS — CID 67261042

IUPAC2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
SMILESCCC12CCCN1c1nc(-n3ccnc3-c3ccc(Cl)s3)ncc1N(C)C2=O
InChIInChI=1S/C19H19ClN6OS/c1-3-19-7-4-9-26(19)15-12(24(2)17(19)27)11-22-18(23-15)25-10-8-21-16(25)13-5-6-14(20)28-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyVDGBXDFHUNZEGL-UHFFFAOYSA-N
MW414.92 g/mol
LogP3.77
Rot. Bonds3

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

2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one (PubChem CID 67261042) has the molecular formula C19H19ClN6OS and a molecular weight of 414.92 g/mol. Its IUPAC name is 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
PubChem CID67261042
Molecular FormulaC19H19ClN6OS
Molecular Weight414.92 g/mol
Exact Mass414.10
IUPAC Name2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
SMILESCCC12CCCN1c1nc(-n3ccnc3-c3ccc(Cl)s3)ncc1N(C)C2=O
InChIInChI=1S/C19H19ClN6OS/c1-3-19-7-4-9-26(19)15-12(24(2)17(19)27)11-22-18(23-15)25-10-8-21-16(25)13-5-6-14(20)28-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3
InChIKeyVDGBXDFHUNZEGL-UHFFFAOYSA-N
XLogP3.77
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.92
LogP ≤ 53.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

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
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
(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
2-chloro-6a-ethyl-5-methyl-8,9,10,11-tetrahydro-7H-azepino[2,1-h]pteridin-6-one;methane
CID 158651053
(7S)-7-ethyl-14-(2-pyridin-3-ylimidazol-1-yl)-2,4,5,11,13,15-hexazatetracyclo[10.4.0.02,6.07,11]hexadeca-1(16),3,5,12,14-pentaene
CID 67498611
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
1-ethyl-5-methyl-10-(2-phenylimidazol-1-yl)-3,4,6,9,11,13-hexazatetracyclo[11.5.0.02,6.07,12]octadeca-2,4,7,9,11-pentaene
CID 66979625
(7R)-7-ethyl-15-[2-(3-fluorophenyl)imidazol-1-yl]-3-methyl-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67499566
(7R)-7-ethyl-15-[2-(3,4,5-trifluorophenyl)imidazol-1-yl]-2,4,5,12,14,16-hexazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67122155
(7R)-7-ethyl-9-methyl-15-(2-phenylimidazol-1-yl)-2,4,5,9,12,14,16-heptazatetracyclo[11.4.0.02,6.07,12]heptadeca-1(17),3,5,13,15-pentaene
CID 67499363
(7R)-7-ethyl-2-[2-(4-fluorophenyl)imidazol-1-yl]-5-methyl-8-(1-methylpyrazol-4-yl)-7H-pteridin-6-one
CID 53261787

Frequently Asked Questions

What is the IUPAC name of 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The IUPAC name of 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) is 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one.
What is the SMILES notation for 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The canonical SMILES for 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one is CCC12CCCN1c1nc(-n3ccnc3-c3ccc(Cl)s3)ncc1N(C)C2=O.
What is the InChIKey of 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
The InChIKey is VDGBXDFHUNZEGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H19ClN6OS/c1-3-19-7-4-9-26(19)15-12(24(2)17(19)27)11-22-18(23-15)25-10-8-21-16(25)13-5-6-14(20)28-13/h5-6,8,10-11H,3-4,7,9H2,1-2H3.
What are the key properties of 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one?
2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one has a molecular weight of 414.92 g/mol, XLogP of 3.77, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-(5-chlorothiophen-2-yl)imidazol-1-yl]-6a-ethyl-5-methyl-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one is sourced from PubChem (CID 67261042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).