3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide

C24H30N6O3 — CID 53069596

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)c1
InChIInChI=1S/C24H30N6O3/c1-17-21(7-8-24(31)25-15-19-5-4-6-20(13-19)32-3)18(2)30(28-17)23-14-22(26-16-27-23)29-9-11-33-12-10-29/h4-6,13-14,16H,7-12,15H2,1-3H3,(H,25,31)
InChIKeyFQOVYOLJOVIMBK-UHFFFAOYSA-N
MW450.54 g/mol
LogP2.37
Rot. Bonds8

About 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide (PubChem CID 53069596) has the molecular formula C24H30N6O3 and a molecular weight of 450.54 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
PubChem CID53069596
Molecular FormulaC24H30N6O3
Molecular Weight450.54 g/mol
Exact Mass450.24
IUPAC Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
SMILESCOc1cccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)c1
InChIInChI=1S/C24H30N6O3/c1-17-21(7-8-24(31)25-15-19-5-4-6-20(13-19)32-3)18(2)30(28-17)23-14-22(26-16-27-23)29-9-11-33-12-10-29/h4-6,13-14,16H,7-12,15H2,1-3H3,(H,25,31)
InChIKeyFQOVYOLJOVIMBK-UHFFFAOYSA-N
XLogP2.37
TPSA94.40 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.54
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53069605
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(2R)-2-phenylpropyl]propanamide
CID 95068834
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
CID 53069421
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(furan-2-ylmethyl)propanamide
CID 53069405
N-[2-(3,4-dimethoxyphenyl)ethyl]-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069402
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-ethylphenyl)propanamide
CID 53069430
3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]-N-(2-methyl-2-morpholin-4-ylpropyl)propanamide
CID 17471893
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547
N-[(4-chlorophenyl)methyl]-3-[1-(3-methoxyphenyl)-3,5-dimethylpyrazol-4-yl]propanamide
CID 9042472
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(3-fluorophenyl)propanamide
CID 53069490
3-(4,6-dimethyl-3,7,8,10-tetrazatricyclo[7.4.0.02,7]trideca-1,3,5,8,10,12-hexaen-5-yl)-N-[(3-methoxyphenyl)methyl]propanamide
CID 118732386
N-[2-(3-methoxyphenyl)ethyl]-5-morpholin-4-ylpyrazine-2-carboxamide
CID 109276597

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide (CID 53069596) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide is COc1cccc(CNC(=O)CCc2c(C)nn(-c3cc(N4CCOCC4)ncn3)c2C)c1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
The InChIKey is FQOVYOLJOVIMBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O3/c1-17-21(7-8-24(31)25-15-19-5-4-6-20(13-19)32-3)18(2)30(28-17)23-14-22(26-16-27-23)29-9-11-33-12-10-29/h4-6,13-14,16H,7-12,15H2,1-3H3,(H,25,31).
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide has a molecular weight of 450.54 g/mol, XLogP of 2.37, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide is sourced from PubChem (CID 53069596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).