2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid

C25H25Cl2N3O2 — CID 68811911

IUPAC2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1CC(=O)O
InChIInChI=1S/C25H25Cl2N3O2/c1-3-20-24(18-10-9-16(26)13-19(18)27)28-21(4-2)25(29-20)30-23-15(12-22(31)32)11-14-7-5-6-8-17(14)23/h5-10,13,15,23H,3-4,11-12H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyNIELSGRWPLTEQP-UHFFFAOYSA-N
MW470.40 g/mol
LogP6.38
Rot. Bonds7

About 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid

2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid (PubChem CID 68811911) has the molecular formula C25H25Cl2N3O2 and a molecular weight of 470.40 g/mol. Its IUPAC name is 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid.

Molecular Properties

Compound Name2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid
PubChem CID68811911
Molecular FormulaC25H25Cl2N3O2
Molecular Weight470.40 g/mol
Exact Mass469.13
IUPAC Name2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid
SMILESCCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1CC(=O)O
InChIInChI=1S/C25H25Cl2N3O2/c1-3-20-24(18-10-9-16(26)13-19(18)27)28-21(4-2)25(29-20)30-23-15(12-22(31)32)11-14-7-5-6-8-17(14)23/h5-10,13,15,23H,3-4,11-12H2,1-2H3,(H,29,30)(H,31,32)
InChIKeyNIELSGRWPLTEQP-UHFFFAOYSA-N
XLogP6.38
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500470.40
LogP ≤ 56.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583381
(1S,2R)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583269
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583285
[(1R,2S)-1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 2-(methylamino)acetate
CID 58583481
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 10310823
1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 23593692
[(1R,2S)-1-[[5-(4-chloro-2-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58583502
[1-[[5-(4-chloro-2-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 23593695
3-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-4-hydroxypyrrolidine-1-carboxylic acid
CID 22147412
3-cyclopropyl-5-(2,4-dichlorophenyl)-N-(2-ethoxy-2,3-dihydro-1H-inden-1-yl)-6-ethylpyrazin-2-amine
CID 22147224
6-cyclopropyl-5-(2,4-dichlorophenyl)-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
CID 58583423
[1-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 2-(methylamino)acetate
CID 22147318

Frequently Asked Questions

What is the IUPAC name of 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid?
The IUPAC name of 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid (CID 68811911) is 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid.
What is the SMILES notation for 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid?
The canonical SMILES for 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid is CCc1nc(-c2ccc(Cl)cc2Cl)c(CC)nc1NC1c2ccccc2CC1CC(=O)O.
What is the InChIKey of 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid?
The InChIKey is NIELSGRWPLTEQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25Cl2N3O2/c1-3-20-24(18-10-9-16(26)13-19(18)27)28-21(4-2)25(29-20)30-23-15(12-22(31)32)11-14-7-5-6-8-17(14)23/h5-10,13,15,23H,3-4,11-12H2,1-2H3,(H,29,30)(H,31,32).
What are the key properties of 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid?
2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid has a molecular weight of 470.40 g/mol, XLogP of 6.38, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid is sourced from PubChem (CID 68811911), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).