[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate

C19H23N3O2 — CID 58710615

IUPAC[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCc1cnc(CC)c(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)n1
InChIInChI=1S/C19H23N3O2/c1-4-14-11-20-16(5-2)19(21-14)22-18-15-9-7-6-8-13(15)10-17(18)24-12(3)23/h6-9,11,17-18H,4-5,10H2,1-3H3,(H,21,22)/t17-,18+/m0/s1
InChIKeyYJVBILOYWYXINU-ZWKOTPCHSA-N
MW325.41 g/mol
LogP3.24
Rot. Bonds5

About [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate

[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate (PubChem CID 58710615) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate.

Molecular Properties

Compound Name[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
PubChem CID58710615
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate
SMILESCCc1cnc(CC)c(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)n1
InChIInChI=1S/C19H23N3O2/c1-4-14-11-20-16(5-2)19(21-14)22-18-15-9-7-6-8-13(15)10-17(18)24-12(3)23/h6-9,11,17-18H,4-5,10H2,1-3H3,(H,21,22)/t17-,18+/m0/s1
InChIKeyYJVBILOYWYXINU-ZWKOTPCHSA-N
XLogP3.24
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

(2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-ol
CID 59083163
[(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
(1R)-1-[(3,6-diethylpyrazin-2-yl)amino]-1,3-dihydroinden-2-one
CID 142247240
[1-[[2-[6-(dimethylamino)-4-methyl-3-pyridinyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 21018432
[1-[[1,4-diethyl-2-(6-methoxy-2-methyl-3-pyridinyl)-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 21018411
[(2S)-1-[[2-[4-(dimethylamino)-2-methylphenyl]-4-ethyl-1-methyl-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 58606723
[(1R,2S)-1-[[1,4-diethyl-2-(4-methoxy-2-methylphenyl)-6-oxopyrimidin-5-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 10217157
[(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
[(1R,2S)-1-[[5-[2-chloro-4-(dimethylamino)phenyl]-1,3-diethyl-6-oxopyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] acetate
CID 11352419
[1-[[5-(2-chloro-4-methoxyphenyl)-3,6-diethylpyrazin-2-yl]amino]-2,3-dihydro-1H-inden-2-yl] 2-(methylamino)acetate
CID 22147318
6-cyclopropyl-5-[6-(dimethylamino)-4-methyl-3-pyridinyl]-N-[(2S)-2-ethoxy-2,3-dihydro-1H-inden-1-yl]-3-ethylpyrazin-2-amine
CID 59083179

Frequently Asked Questions

What is the IUPAC name of [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The IUPAC name of [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate (CID 58710615) is [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate.
What is the SMILES notation for [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The canonical SMILES for [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate is CCc1cnc(CC)c(N[C@@H]2c3ccccc3C[C@@H]2OC(C)=O)n1.
What is the InChIKey of [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
The InChIKey is YJVBILOYWYXINU-ZWKOTPCHSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-4-14-11-20-16(5-2)19(21-14)22-18-15-9-7-6-8-13(15)10-17(18)24-12(3)23/h6-9,11,17-18H,4-5,10H2,1-3H3,(H,21,22)/t17-,18+/m0/s1.
What are the key properties of [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate?
[(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate has a molecular weight of 325.41 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(1R,2S)-1-[(3,6-diethylpyrazin-2-yl)amino]-2,3-dihydro-1H-inden-2-yl] acetate is sourced from PubChem (CID 58710615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).