6a-ethyl-2-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;1H-imidazole

C32H41ClN12O2 — CID 159217617

IUPAC6a-ethyl-2-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;1H-imidazole
SMILESCCC12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O.CCC12CCCCN1c1nc(Cl)ncc1N(C)C2=O.c1c[nH]cn1
InChIInChI=1S/C16H20N6O.C13H17ClN4O.C3H4N2/c1-3-16-6-4-5-8-22(16)13-12(20(2)14(16)23)10-18-15(19-13)21-9-7-17-11-21;1-3-13-6-4-5-7-18(13)10-9(17(2)11(13)19)8-15-12(14)16-10;1-2-5-3-4-1/h7,9-11H,3-6,8H2,1-2H3;8H,3-7H2,1-2H3;1-3H,(H,4,5)
InChIKeyKRGVSWPKMPZHIK-UHFFFAOYSA-N
MW661.22 g/mol
LogP4.43
Rot. Bonds3

About 6a-ethyl-2-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;1H-imidazole

6a-ethyl-2-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;1H-imidazole (PubChem CID 159217617) has the molecular formula C32H41ClN12O2 and a molecular weight of 661.22 g/mol. Its IUPAC name is 6a-ethyl-2-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;1H-imidazole.

Molecular Properties

Compound Name6a-ethyl-2-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;1H-imidazole
PubChem CID159217617
Molecular FormulaC32H41ClN12O2
Molecular Weight661.22 g/mol
Exact Mass660.32
IUPAC Name6a-ethyl-2-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;1H-imidazole
SMILESCCC12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O.CCC12CCCCN1c1nc(Cl)ncc1N(C)C2=O.c1c[nH]cn1
InChIInChI=1S/C16H20N6O.C13H17ClN4O.C3H4N2/c1-3-16-6-4-5-8-22(16)13-12(20(2)14(16)23)10-18-15(19-13)21-9-7-17-11-21;1-3-13-6-4-5-7-18(13)10-9(17(2)11(13)19)8-15-12(14)16-10;1-2-5-3-4-1/h7,9-11H,3-6,8H2,1-2H3;8H,3-7H2,1-2H3;1-3H,(H,4,5)
InChIKeyKRGVSWPKMPZHIK-UHFFFAOYSA-N
XLogP4.43
TPSA145.16 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds3
Heavy Atoms47
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500661.22
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

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Frequently Asked Questions

What is the IUPAC name of 6a-ethyl-2-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;1H-imidazole?
The IUPAC name of 6a-ethyl-2-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;1H-imidazole (CID 159217617) is 6a-ethyl-2-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;1H-imidazole.
What is the SMILES notation for 6a-ethyl-2-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;1H-imidazole?
The canonical SMILES for 6a-ethyl-2-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;1H-imidazole is CCC12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O.CCC12CCCCN1c1nc(Cl)ncc1N(C)C2=O.c1c[nH]cn1.
What is the InChIKey of 6a-ethyl-2-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;1H-imidazole?
The InChIKey is KRGVSWPKMPZHIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6O.C13H17ClN4O.C3H4N2/c1-3-16-6-4-5-8-22(16)13-12(20(2)14(16)23)10-18-15(19-13)21-9-7-17-11-21;1-3-13-6-4-5-7-18(13)10-9(17(2)11(13)19)8-15-12(14)16-10;1-2-5-3-4-1/h7,9-11H,3-6,8H2,1-2H3;8H,3-7H2,1-2H3;1-3H,(H,4,5).
What are the key properties of 6a-ethyl-2-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;1H-imidazole?
6a-ethyl-2-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;1H-imidazole has a molecular weight of 661.22 g/mol, XLogP of 4.43, 3 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 6a-ethyl-2-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;1H-imidazole is sourced from PubChem (CID 159217617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).