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

C26H32N4O2 — CID 10410573

IUPACN-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC
InChIInChI=1S/C26H32N4O2/c1-5-17-13-14-27-23(15-17)32-26-21(7-3)28-25(20(6-2)29-26)30-24-19-12-10-9-11-18(19)16-22(24)31-8-4/h9-15,22,24H,5-8,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
InChIKeyQJHDQBSLVVDKTN-LADGPHEKSA-N
MW432.57 g/mol
LogP5.47
Rot. Bonds9

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

N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine (PubChem CID 10410573) has the molecular formula C26H32N4O2 and a molecular weight of 432.57 g/mol. Its IUPAC name is N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine.

Molecular Properties

Compound NameN-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine
PubChem CID10410573
Molecular FormulaC26H32N4O2
Molecular Weight432.57 g/mol
Exact Mass432.25
IUPAC NameN-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine
SMILESCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC
InChIInChI=1S/C26H32N4O2/c1-5-17-13-14-27-23(15-17)32-26-21(7-3)28-25(20(6-2)29-26)30-24-19-12-10-9-11-18(19)16-22(24)31-8-4/h9-15,22,24H,5-8,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1
InChIKeyQJHDQBSLVVDKTN-LADGPHEKSA-N
XLogP5.47
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 ≤ 55.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine?
The IUPAC name of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine (CID 10410573) is N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine.
What is the SMILES notation for N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine?
The canonical SMILES for N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine is CCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(Oc2cc(CC)ccn2)nc1CC.
What is the InChIKey of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine?
The InChIKey is QJHDQBSLVVDKTN-LADGPHEKSA-N. The full InChI is InChI=1S/C26H32N4O2/c1-5-17-13-14-27-23(15-17)32-26-21(7-3)28-25(20(6-2)29-26)30-24-19-12-10-9-11-18(19)16-22(24)31-8-4/h9-15,22,24H,5-8,16H2,1-4H3,(H,28,30)/t22-,24+/m0/s1.
What are the key properties of N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine?
N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine has a molecular weight of 432.57 g/mol, XLogP of 5.47, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethyl-5-[(4-ethyl-2-pyridinyl)oxy]pyrazin-2-amine is sourced from PubChem (CID 10410573), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).