(6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one

C16H20N6O — CID 58405289

IUPAC(6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
SMILESCC[C@]12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O
InChIInChI=1S/C16H20N6O/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/h7,9-11H,3-6,8H2,1-2H3/t16-/m1/s1
InChIKeyNEDKNKCNJWJFGG-MRXNPFEDSA-N
MW312.38 g/mol
LogP1.78
Rot. Bonds2

About (6aR)-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 (PubChem CID 58405289) has the molecular formula C16H20N6O and a molecular weight of 312.38 g/mol. Its IUPAC name is (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one.

Molecular Properties

Compound Name(6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
PubChem CID58405289
Molecular FormulaC16H20N6O
Molecular Weight312.38 g/mol
Exact Mass312.17
IUPAC Name(6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one
SMILESCC[C@]12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O
InChIInChI=1S/C16H20N6O/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/h7,9-11H,3-6,8H2,1-2H3/t16-/m1/s1
InChIKeyNEDKNKCNJWJFGG-MRXNPFEDSA-N
XLogP1.78
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.38
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

Piperidin-1-yl-[1-(4-pyrrolidin-1-ylpyrimidin-5-yl)piperidin-4-yl]methanone
CID 53165659
[1-(4-Piperidino-5-pyrimidinyl)-4-piperidyl](1-pyrrolidinyl)methanone
CID 53165735
(4-(6-(1H-imidazol-1-yl)-2-methylpyrimidin-4-yl)piperazin-1-yl)(cyclopentyl)methanone
CID 45502554
1-(4-(6-(1H-imidazol-1-yl)pyrimidin-4-yl)piperazin-1-yl)-3-cyclohexylpropan-1-one
CID 56699001
(4aR,8aS)-1-(3-imidazol-1-ylpropyl)-6-(2-methylpyrimidin-4-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164634936
(4aR,8aS)-1-(3-imidazol-1-ylpropyl)-6-(4-methylpyrimidin-2-yl)-4,4a,5,7,8,8a-hexahydro-3H-1,6-naphthyridin-2-one
CID 164639267
(7S)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405400
(7R)-8-(3,3-difluorocyclobutyl)-7-ethyl-2-imidazol-1-yl-5-methyl-7H-pteridin-6-one
CID 58405406
(7R)-8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 58405534
(7R)-7-ethyl-2-imidazol-1-yl-5-methyl-8-(3,3,3-trifluoropropyl)-7H-pteridin-6-one
CID 58405823
2-imidazol-1-yl-5-methyl-6a-(2,2,2-trifluoroethyl)-8,9-dihydro-7H-pyrrolo[2,1-h]pteridin-6-one
CID 58405861
8-cyclopentyl-7-ethyl-5-methyl-2-[2-(trifluoromethyl)imidazol-1-yl]-7H-pteridin-6-one
CID 67261441

Frequently Asked Questions

What is the IUPAC name of (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
The IUPAC name of (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one (CID 58405289) is (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one.
What is the SMILES notation for (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
The canonical SMILES for (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one is CC[C@]12CCCCN1c1nc(-n3ccnc3)ncc1N(C)C2=O.
What is the InChIKey of (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one?
The InChIKey is NEDKNKCNJWJFGG-MRXNPFEDSA-N. The full InChI is InChI=1S/C16H20N6O/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/h7,9-11H,3-6,8H2,1-2H3/t16-/m1/s1.
What are the key properties of (6aR)-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 has a molecular weight of 312.38 g/mol, XLogP of 1.78, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (6aR)-6a-ethyl-2-imidazol-1-yl-5-methyl-7,8,9,10-tetrahydropyrido[2,1-h]pteridin-6-one is sourced from PubChem (CID 58405289), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).