(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone

C21H30N4O3 — CID 119111636

IUPAC(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone
SMILESCOc1c(CNCc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)c(C)nn1C
InChIInChI=1S/C21H30N4O3/c1-14-12-25(13-15(2)28-14)20(26)18-8-6-17(7-9-18)10-22-11-19-16(3)23-24(4)21(19)27-5/h6-9,14-15,22H,10-13H2,1-5H3
InChIKeyUWNPRKHBSHJUKP-UHFFFAOYSA-N
MW386.50 g/mol
LogP2.28
Rot. Bonds6

About (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone

(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone (PubChem CID 119111636) has the molecular formula C21H30N4O3 and a molecular weight of 386.50 g/mol. Its IUPAC name is (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone.

Molecular Properties

Compound Name(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone
PubChem CID119111636
Molecular FormulaC21H30N4O3
Molecular Weight386.50 g/mol
Exact Mass386.23
IUPAC Name(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone
SMILESCOc1c(CNCc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)c(C)nn1C
InChIInChI=1S/C21H30N4O3/c1-14-12-25(13-15(2)28-14)20(26)18-8-6-17(7-9-18)10-22-11-19-16(3)23-24(4)21(19)27-5/h6-9,14-15,22H,10-13H2,1-5H3
InChIKeyUWNPRKHBSHJUKP-UHFFFAOYSA-N
XLogP2.28
TPSA68.62 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.50
LogP ≤ 52.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone with MolForge

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Related Compounds

N-[(2S)-butan-2-yl]-4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]benzamide
CID 52537950
(2,6-dimethylmorpholin-4-yl)-[4-[[(1-methylbenzimidazol-2-yl)methylamino]methyl]phenyl]methanone
CID 119110424
3-[[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylamino]methyl]benzoic acid
CID 122030703
4-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]aniline
CID 99608139
[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]-(2,6-dimethylmorpholin-4-yl)methanone
CID 618918
1-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methyl]-3-[(3-methoxyphenyl)methyl]urea
CID 47985084
4-[[4-(2,6-dimethylmorpholine-4-carbonyl)anilino]methyl]benzoic acid
CID 122033835
5-[[4-(2,6-dimethylmorpholine-4-carbonyl)phenyl]methylcarbamoyl]pyrazine-2-carboxylic acid
CID 120685308
(2,6-dimethylmorpholin-4-yl)-[4-[[(6-methylpyrimidin-4-yl)amino]methyl]phenyl]methanone
CID 133298921
N-[(5-methoxy-1,3-dimethylpyrazol-4-yl)methyl]-1-[6-(4-methylpiperidin-1-yl)-3-pyridinyl]methanamine
CID 51105113
1-(cyclobutylmethyl)-3-[[4-[(2S,6S)-2,6-dimethylmorpholine-4-carbonyl]phenyl]methyl]urea
CID 95225967
2-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenol
CID 115603366

Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone?
The IUPAC name of (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone (CID 119111636) is (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone.
What is the SMILES notation for (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone?
The canonical SMILES for (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone is COc1c(CNCc2ccc(C(=O)N3CC(C)OC(C)C3)cc2)c(C)nn1C.
What is the InChIKey of (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone?
The InChIKey is UWNPRKHBSHJUKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H30N4O3/c1-14-12-25(13-15(2)28-14)20(26)18-8-6-17(7-9-18)10-22-11-19-16(3)23-24(4)21(19)27-5/h6-9,14-15,22H,10-13H2,1-5H3.
What are the key properties of (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone?
(2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone has a molecular weight of 386.50 g/mol, XLogP of 2.28, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylmorpholin-4-yl)-[4-[[(5-methoxy-1,3-dimethylpyrazol-4-yl)methylamino]methyl]phenyl]methanone is sourced from PubChem (CID 119111636), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).