[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone

C18H28N6O2 — CID 155495084

IUPAC[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1C
InChIInChI=1S/C18H28N6O2/c1-12-13(2)20-23(6)16(12)18(25)24-7-8-26-15(11-21(3)4)17(24)14-9-19-22(5)10-14/h9-10,15,17H,7-8,11H2,1-6H3/t15-,17-/m0/s1
InChIKeyYXSINRVUUHMMSG-RDJZCZTQSA-N
MW360.46 g/mol
LogP0.91
Rot. Bonds4

About [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone (PubChem CID 155495084) has the molecular formula C18H28N6O2 and a molecular weight of 360.46 g/mol. Its IUPAC name is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone
PubChem CID155495084
Molecular FormulaC18H28N6O2
Molecular Weight360.46 g/mol
Exact Mass360.23
IUPAC Name[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone
SMILESCc1nn(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1C
InChIInChI=1S/C18H28N6O2/c1-12-13(2)20-23(6)16(12)18(25)24-7-8-26-15(11-21(3)4)17(24)14-9-19-22(5)10-14/h9-10,15,17H,7-8,11H2,1-6H3/t15-,17-/m0/s1
InChIKeyYXSINRVUUHMMSG-RDJZCZTQSA-N
XLogP0.91
TPSA68.42 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.46
LogP ≤ 50.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(4-hydroxy-2-methylphenyl)methanone
CID 155504668
(2-chloro-5-methylphenyl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155508291
(4-chloro-5-methyl-1H-pyrazol-3-yl)-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155503654
1,3-dihydro-2-benzofuran-4-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 157015556
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-methylimidazo[1,2-a]pyridin-2-yl)methanone
CID 155494473
1-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-(4-hydroxyphenyl)ethanone
CID 155499685
1-benzothiophen-2-yl-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]methanone
CID 155501916
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(3-ethoxyphenyl)methanone
CID 155496283
1-[2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-2-oxoethyl]pyrrolidin-2-one
CID 155500045
2-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]chromen-4-one
CID 155508575
3-[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholine-4-carbonyl]-1H-pyrazin-2-one;formic acid
CID 155938692
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(8-fluoroquinolin-2-yl)methanone
CID 155504675

Frequently Asked Questions

What is the IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone?
The IUPAC name of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone (CID 155495084) is [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone?
The canonical SMILES for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone is Cc1nn(C)c(C(=O)N2CCO[C@@H](CN(C)C)[C@@H]2c2cnn(C)c2)c1C.
What is the InChIKey of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone?
The InChIKey is YXSINRVUUHMMSG-RDJZCZTQSA-N. The full InChI is InChI=1S/C18H28N6O2/c1-12-13(2)20-23(6)16(12)18(25)24-7-8-26-15(11-21(3)4)17(24)14-9-19-22(5)10-14/h9-10,15,17H,7-8,11H2,1-6H3/t15-,17-/m0/s1.
What are the key properties of [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone?
[(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone has a molecular weight of 360.46 g/mol, XLogP of 0.91, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S,3S)-2-[(dimethylamino)methyl]-3-(1-methylpyrazol-4-yl)morpholin-4-yl]-(2,4,5-trimethylpyrazol-3-yl)methanone is sourced from PubChem (CID 155495084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).