6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one

C24H28N4O3 — CID 11189336

IUPAC6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1c(C)nc(-c2ccc(OC)nc2C)c(=O)n1C
InChIInChI=1S/C24H28N4O3/c1-6-31-19-13-16-9-7-8-10-18(16)21(19)27-23-15(3)26-22(24(29)28(23)4)17-11-12-20(30-5)25-14(17)2/h7-12,19,21,27H,6,13H2,1-5H3/t19-,21+/m0/s1
InChIKeyRDGBDJCSRUPSBP-PZJWPPBQSA-N
MW420.51 g/mol
LogP3.58
Rot. Bonds6

About 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one

6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one (PubChem CID 11189336) has the molecular formula C24H28N4O3 and a molecular weight of 420.51 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one.

Molecular Properties

Compound Name6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one
PubChem CID11189336
Molecular FormulaC24H28N4O3
Molecular Weight420.51 g/mol
Exact Mass420.22
IUPAC Name6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1c(C)nc(-c2ccc(OC)nc2C)c(=O)n1C
InChIInChI=1S/C24H28N4O3/c1-6-31-19-13-16-9-7-8-10-18(16)21(19)27-23-15(3)26-22(24(29)28(23)4)17-11-12-20(30-5)25-14(17)2/h7-12,19,21,27H,6,13H2,1-5H3/t19-,21+/m0/s1
InChIKeyRDGBDJCSRUPSBP-PZJWPPBQSA-N
XLogP3.58
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.51
LogP ≤ 53.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one?
The IUPAC name of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one (CID 11189336) is 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one.
What is the SMILES notation for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one?
The canonical SMILES for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one is CCO[C@H]1Cc2ccccc2[C@H]1Nc1c(C)nc(-c2ccc(OC)nc2C)c(=O)n1C.
What is the InChIKey of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one?
The InChIKey is RDGBDJCSRUPSBP-PZJWPPBQSA-N. The full InChI is InChI=1S/C24H28N4O3/c1-6-31-19-13-16-9-7-8-10-18(16)21(19)27-23-15(3)26-22(24(29)28(23)4)17-11-12-20(30-5)25-14(17)2/h7-12,19,21,27H,6,13H2,1-5H3/t19-,21+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one?
6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one has a molecular weight of 420.51 g/mol, XLogP of 3.58, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-3-(6-methoxy-2-methyl-3-pyridinyl)-1,5-dimethylpyrazin-2-one is sourced from PubChem (CID 11189336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).