3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

C26H32N4O2 — CID 10048451

IUPAC3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
InChIInChI=1S/C26H32N4O2/c1-5-14-31-22-16-18-10-8-9-11-19(18)24(22)30-25-20(6-2)29-26(21(7-3)28-25)32-23-15-17(4)12-13-27-23/h8-13,15,22,24H,5-7,14,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
InChIKeyJRZYFNWKXMUXEA-LADGPHEKSA-N
MW432.57 g/mol
LogP5.60
Rot. Bonds9

About 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine

3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 10048451) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID10048451
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC Name3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC
InChIInChI=1S/C26H32N4O2/c1-5-14-31-22-16-18-10-8-9-11-19(18)24(22)30-25-20(6-2)29-26(21(7-3)28-25)32-23-15-17(4)12-13-27-23/h8-13,15,22,24H,5-7,14,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
InChIKeyJRZYFNWKXMUXEA-LADGPHEKSA-N
XLogP5.60
TPSA69.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.57
LogP ≤ 55.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 10048451) is 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is CCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(C)ccn2)nc1CC.
What is the InChIKey of 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is JRZYFNWKXMUXEA-LADGPHEKSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-14-31-22-16-18-10-8-9-11-19(18)24(22)30-25-20(6-2)29-26(21(7-3)28-25)32-23-15-17(4)12-13-27-23/h8-13,15,22,24H,5-7,14,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1.
What are the key properties of 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 432.57 g/mol, XLogP of 5.60, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3,6-diethyl-5-[(4-methyl-2-pyridinyl)oxy]-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 10048451), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).