(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

C20H18ClN3O2 — CID 133448139

IUPAC(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1Nc1cncc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN3O2/c21-15-6-3-4-13(8-15)12-26-19-11-22-10-18(23-19)24-20-16-7-2-1-5-14(16)9-17(20)25/h1-8,10-11,17,20,25H,9,12H2,(H,23,24)/t17-,20+/m1/s1
InChIKeyOCTOSPOMWYHWCM-XLIONFOSSA-N
MW367.84 g/mol
LogP3.78
Rot. Bonds5

About (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol

(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (PubChem CID 133448139) has the molecular formula C20H18ClN3O2 and a molecular weight of 367.84 g/mol. Its IUPAC name is (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.

Molecular Properties

Compound Name(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
PubChem CID133448139
Molecular FormulaC20H18ClN3O2
Molecular Weight367.84 g/mol
Exact Mass367.11
IUPAC Name(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol
SMILESO[C@@H]1Cc2ccccc2[C@@H]1Nc1cncc(OCc2cccc(Cl)c2)n1
InChIInChI=1S/C20H18ClN3O2/c21-15-6-3-4-13(8-15)12-26-19-11-22-10-18(23-19)24-20-16-7-2-1-5-14(16)9-17(20)25/h1-8,10-11,17,20,25H,9,12H2,(H,23,24)/t17-,20+/m1/s1
InChIKeyOCTOSPOMWYHWCM-XLIONFOSSA-N
XLogP3.78
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.84
LogP ≤ 53.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol with MolForge

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Related Compounds

trans-(1S,2S)-2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]cyclohexan-1-ol
CID 133495474
(1S,2R)-1-(pyrazin-2-ylamino)-2,3-dihydro-1H-inden-2-ol
CID 133447996
6-[(3-chlorophenyl)methoxy]-N-[(1,5-dimethylpyrazol-4-yl)methyl]pyrazin-2-amine
CID 133405618
(1R,2S)-1-[(5-bromo-6-methylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 58583415
2-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-methylamino]ethanol
CID 133381567
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]pyrrolidine-3-carboxylic acid
CID 122048524
(1S,2R)-1-[(5-chloro-2-methoxypyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 84596244
(1R,2S)-1-[(5-bromo-2-pyridinyl)amino]-2,3-dihydro-1H-inden-2-ol
CID 71982317
(1S,2R)-1-[(2,6-dimethylpyrimidin-4-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 133447953
5-chloro-2-[(3-chlorophenyl)methoxy]pyridine
CID 66232556
1-[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]-5-methoxypiperidine-3-carboxylic acid
CID 167949849
6-[(2-hydroxy-2,3-dihydro-1H-inden-1-yl)amino]pyridine-2-carbonitrile
CID 133392135

Frequently Asked Questions

What is the IUPAC name of (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The IUPAC name of (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol (CID 133448139) is (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol.
What is the SMILES notation for (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The canonical SMILES for (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is O[C@@H]1Cc2ccccc2[C@@H]1Nc1cncc(OCc2cccc(Cl)c2)n1.
What is the InChIKey of (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
The InChIKey is OCTOSPOMWYHWCM-XLIONFOSSA-N. The full InChI is InChI=1S/C20H18ClN3O2/c21-15-6-3-4-13(8-15)12-26-19-11-22-10-18(23-19)24-20-16-7-2-1-5-14(16)9-17(20)25/h1-8,10-11,17,20,25H,9,12H2,(H,23,24)/t17-,20+/m1/s1.
What are the key properties of (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol?
(1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol has a molecular weight of 367.84 g/mol, XLogP of 3.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1S,2R)-1-[[6-[(3-chlorophenyl)methoxy]pyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-ol is sourced from PubChem (CID 133448139), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).