2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

C19H22N4O2 — CID 124983075

IUPAC2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCNc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1
InChIInChI=1S/C19H22N4O2/c1-20-18-17(21-7-8-22-18)16-12-23(9-10-25-16)19(24)15-6-5-13-3-2-4-14(13)11-15/h5-8,11,16H,2-4,9-10,12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyNBIVCCOUKGLERD-MRXNPFEDSA-N
MW338.41 g/mol
LogP2.22
Rot. Bonds3

About 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone

2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (PubChem CID 124983075) has the molecular formula C19H22N4O2 and a molecular weight of 338.41 g/mol. Its IUPAC name is 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.

Molecular Properties

Compound Name2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
PubChem CID124983075
Molecular FormulaC19H22N4O2
Molecular Weight338.41 g/mol
Exact Mass338.17
IUPAC Name2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
SMILESCNc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1
InChIInChI=1S/C19H22N4O2/c1-20-18-17(21-7-8-22-18)16-12-23(9-10-25-16)19(24)15-6-5-13-3-2-4-14(13)11-15/h5-8,11,16H,2-4,9-10,12H2,1H3,(H,20,22)/t16-/m1/s1
InChIKeyNBIVCCOUKGLERD-MRXNPFEDSA-N
XLogP2.22
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.41
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2,3-dihydro-1H-inden-5-yl-[(2R)-2-(2-methyl-4-pyridinyl)morpholin-4-yl]methanone
CID 125019087
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-thiophen-3-ylmethanone
CID 125008845
[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-quinolin-3-ylmethanone
CID 125018611
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(4-methyl-1,2,4-triazol-3-yl)morpholin-4-yl]methanone
CID 129329680
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
2,3-dihydro-1H-inden-5-yl-[(2R)-2-(5-methyl-1H-imidazol-2-yl)morpholin-4-yl]methanone
CID 124988304
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994
[(2R)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(2,3-dihydro-1H-inden-5-yl)methanone
CID 124955708
[2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]-(1,3-oxazol-5-yl)methanone
CID 110112895
1-benzothiophen-2-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 124947338
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078
[2-(4-chlorophenyl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 60552657

Frequently Asked Questions

What is the IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The IUPAC name of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone (CID 124983075) is 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone.
What is the SMILES notation for 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The canonical SMILES for 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is CNc1nccnc1[C@H]1CN(C(=O)c2ccc3c(c2)CCC3)CCO1.
What is the InChIKey of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
The InChIKey is NBIVCCOUKGLERD-MRXNPFEDSA-N. The full InChI is InChI=1S/C19H22N4O2/c1-20-18-17(21-7-8-22-18)16-12-23(9-10-25-16)19(24)15-6-5-13-3-2-4-14(13)11-15/h5-8,11,16H,2-4,9-10,12H2,1H3,(H,20,22)/t16-/m1/s1.
What are the key properties of 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone?
2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone has a molecular weight of 338.41 g/mol, XLogP of 2.22, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,3-dihydro-1H-inden-5-yl-[(2R)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone is sourced from PubChem (CID 124983075), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).