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

C26H29Cl2N3O — CID 10310823

IUPAC5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C26H29Cl2N3O/c1-4-13-32-23-14-16-9-7-8-10-18(16)25(23)31-26-22(6-3)29-24(21(5-2)30-26)19-12-11-17(27)15-20(19)28/h7-12,15,23,25H,4-6,13-14H2,1-3H3,(H,30,31)/t23-,25+/m0/s1
InChIKeyMTAXRQIWNQDTGY-UKILVPOCSA-N
MW470.44 g/mol
LogP7.08
Rot. Bonds8

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

5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (PubChem CID 10310823) has the molecular formula C26H29Cl2N3O and a molecular weight of 470.44 g/mol. Its IUPAC name is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.

Molecular Properties

Compound Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
PubChem CID10310823
Molecular FormulaC26H29Cl2N3O
Molecular Weight470.44 g/mol
Exact Mass469.17
IUPAC Name5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
SMILESCCCO[C@H]1Cc2ccccc2[C@H]1Nc1nc(CC)c(-c2ccc(Cl)cc2Cl)nc1CC
InChIInChI=1S/C26H29Cl2N3O/c1-4-13-32-23-14-16-9-7-8-10-18(16)25(23)31-26-22(6-3)29-24(21(5-2)30-26)19-12-11-17(27)15-20(19)28/h7-12,15,23,25H,4-6,13-14H2,1-3H3,(H,30,31)/t23-,25+/m0/s1
InChIKeyMTAXRQIWNQDTGY-UKILVPOCSA-N
XLogP7.08
TPSA47.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.44
LogP ≤ 57.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The IUPAC name of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine (CID 10310823) is 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine.
What is the SMILES notation for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The canonical SMILES for 5-(2,4-dichlorophenyl)-3,6-diethyl-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(-c2ccc(Cl)cc2Cl)nc1CC.
What is the InChIKey of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
The InChIKey is MTAXRQIWNQDTGY-UKILVPOCSA-N. The full InChI is InChI=1S/C26H29Cl2N3O/c1-4-13-32-23-14-16-9-7-8-10-18(16)25(23)31-26-22(6-3)29-24(21(5-2)30-26)19-12-11-17(27)15-20(19)28/h7-12,15,23,25H,4-6,13-14H2,1-3H3,(H,30,31)/t23-,25+/m0/s1.
What are the key properties of 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine?
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine has a molecular weight of 470.44 g/mol, XLogP of 7.08, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine is sourced from PubChem (CID 10310823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).