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

C26H32N4O3 — CID 11408276

IUPAC6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1c(CC)nc(-c2ccc(OC)nc2C)c(=O)n1CC
InChIInChI=1S/C26H32N4O3/c1-6-20-25(29-23-19-12-10-9-11-17(19)15-21(23)33-8-3)30(7-2)26(31)24(28-20)18-13-14-22(32-5)27-16(18)4/h9-14,21,23,29H,6-8,15H2,1-5H3/t21-,23+/m0/s1
InChIKeyVGJDPKRBGMRISN-JTHBVZDNSA-N
MW448.57 g/mol
LogP4.32
Rot. Bonds8

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

6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one (PubChem CID 11408276) has the molecular formula C26H32N4O3 and a molecular weight of 448.57 g/mol. Its IUPAC name is 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one.

Molecular Properties

Compound Name6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one
PubChem CID11408276
Molecular FormulaC26H32N4O3
Molecular Weight448.57 g/mol
Exact Mass448.25
IUPAC Name6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1c(CC)nc(-c2ccc(OC)nc2C)c(=O)n1CC
InChIInChI=1S/C26H32N4O3/c1-6-20-25(29-23-19-12-10-9-11-17(19)15-21(23)33-8-3)30(7-2)26(31)24(28-20)18-13-14-22(32-5)27-16(18)4/h9-14,21,23,29H,6-8,15H2,1-5H3/t21-,23+/m0/s1
InChIKeyVGJDPKRBGMRISN-JTHBVZDNSA-N
XLogP4.32
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.57
LogP ≤ 54.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-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]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one?
The IUPAC name of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one (CID 11408276) is 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one.
What is the SMILES notation for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one?
The canonical SMILES for 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one is CCO[C@H]1Cc2ccccc2[C@H]1Nc1c(CC)nc(-c2ccc(OC)nc2C)c(=O)n1CC.
What is the InChIKey of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one?
The InChIKey is VGJDPKRBGMRISN-JTHBVZDNSA-N. The full InChI is InChI=1S/C26H32N4O3/c1-6-20-25(29-23-19-12-10-9-11-17(19)15-21(23)33-8-3)30(7-2)26(31)24(28-20)18-13-14-22(32-5)27-16(18)4/h9-14,21,23,29H,6-8,15H2,1-5H3/t21-,23+/m0/s1.
What are the key properties of 6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one?
6-[[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]amino]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one has a molecular weight of 448.57 g/mol, XLogP of 4.32, 8 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]-1,5-diethyl-3-(6-methoxy-2-methyl-3-pyridinyl)pyrazin-2-one is sourced from PubChem (CID 11408276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).