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

C25H30N4O3 — CID 11407887

IUPAC6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1c(CC)nc(-c2ccc(OC)nc2C)c(=O)n1C
InChIInChI=1S/C25H30N4O3/c1-6-19-24(28-22-18-11-9-8-10-16(18)14-20(22)32-7-2)29(4)25(30)23(27-19)17-12-13-21(31-5)26-15(17)3/h8-13,20,22,28H,6-7,14H2,1-5H3/t20-,22+/m0/s1
InChIKeyDIJKYFAPILXIEQ-RBBKRZOGSA-N
MW434.54 g/mol
LogP3.84
Rot. Bonds7

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

6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one (PubChem CID 11407887) has the molecular formula C25H30N4O3 and a molecular weight of 434.54 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one.

Molecular Properties

Compound Name6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one
PubChem CID11407887
Molecular FormulaC25H30N4O3
Molecular Weight434.54 g/mol
Exact Mass434.23
IUPAC Name6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1c(CC)nc(-c2ccc(OC)nc2C)c(=O)n1C
InChIInChI=1S/C25H30N4O3/c1-6-19-24(28-22-18-11-9-8-10-16(18)14-20(22)32-7-2)29(4)25(30)23(27-19)17-12-13-21(31-5)26-15(17)3/h8-13,20,22,28H,6-7,14H2,1-5H3/t20-,22+/m0/s1
InChIKeyDIJKYFAPILXIEQ-RBBKRZOGSA-N
XLogP3.84
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one with MolForge

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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]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one?
The IUPAC name of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one (CID 11407887) is 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one.
What is the SMILES notation for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one?
The canonical SMILES for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one is CCO[C@H]1Cc2ccccc2[C@H]1Nc1c(CC)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]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one?
The InChIKey is DIJKYFAPILXIEQ-RBBKRZOGSA-N. The full InChI is InChI=1S/C25H30N4O3/c1-6-19-24(28-22-18-11-9-8-10-16(18)14-20(22)32-7-2)29(4)25(30)23(27-19)17-12-13-21(31-5)26-15(17)3/h8-13,20,22,28H,6-7,14H2,1-5H3/t20-,22+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one?
6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one has a molecular weight of 434.54 g/mol, XLogP of 3.84, 7 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]-5-ethyl-3-(6-methoxy-2-methyl-3-pyridinyl)-1-methylpyrazin-2-one is sourced from PubChem (CID 11407887), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).