1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

C24H26ClN3O — CID 23593692

IUPAC1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCCc1nc(-c2ccc(C)cc2Cl)c(CC)nc1NC1c2ccccc2CC1O
InChIInChI=1S/C24H26ClN3O/c1-4-19-22(17-11-10-14(3)12-18(17)25)26-20(5-2)24(27-19)28-23-16-9-7-6-8-15(16)13-21(23)29/h6-12,21,23,29H,4-5,13H2,1-3H3,(H,27,28)
InChIKeySAJZEGVLLWSCLF-UHFFFAOYSA-N
MW407.95 g/mol
LogP5.30
Rot. Bonds5

About 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 23593692) has the molecular formula C24H26ClN3O and a molecular weight of 407.95 g/mol. Its IUPAC name is 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID23593692
Molecular FormulaC24H26ClN3O
Molecular Weight407.95 g/mol
Exact Mass407.18
IUPAC Name1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESCCc1nc(-c2ccc(C)cc2Cl)c(CC)nc1NC1c2ccccc2CC1O
InChIInChI=1S/C24H26ClN3O/c1-4-19-22(17-11-10-14(3)12-18(17)25)26-20(5-2)24(27-19)28-23-16-9-7-6-8-15(16)13-21(23)29/h6-12,21,23,29H,4-5,13H2,1-3H3,(H,27,28)
InChIKeySAJZEGVLLWSCLF-UHFFFAOYSA-N
XLogP5.30
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.95
LogP ≤ 55.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

(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-[(1S,2S)-2-ethyl-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583381
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-methoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 58583285
2-[1-[[5-(2,4-dichlorophenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl]acetic acid
CID 68811911
5-(2,4-dichlorophenyl)-3,6-diethyl-N-[(1R,2S)-2-propoxy-2,3-dihydro-1H-inden-1-yl]pyrazin-2-amine
CID 10310823
5-[2-chloro-4-(dimethylamino)phenyl]-N-[(1R,2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3,6-diethylpyrazin-2-amine
CID 10238643
[(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
[1-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 2-(methylamino)acetate
CID 22147318
(1R,2S)-1-[[3-bromo-5-(2,4-dichlorophenyl)-6-methylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
CID 58583487
[(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
5-(2-chloro-4-methylphenyl)-3,6-diethyl-N-(2-methoxy-2,3-dihydro-1H-inden-1-yl)-N-methylpyrazin-2-amine
CID 23570665

Frequently Asked Questions

What is the IUPAC name of 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 23593692) is 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is CCc1nc(-c2ccc(C)cc2Cl)c(CC)nc1NC1c2ccccc2CC1O.
What is the InChIKey of 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is SAJZEGVLLWSCLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26ClN3O/c1-4-19-22(17-11-10-14(3)12-18(17)25)26-20(5-2)24(27-19)28-23-16-9-7-6-8-15(16)13-21(23)29/h6-12,21,23,29H,4-5,13H2,1-3H3,(H,27,28).
What are the key properties of 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 407.95 g/mol, XLogP of 5.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5-(2-chloro-4-methylphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 23593692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).