3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

C26H39N7O2 — CID 50780492

IUPAC3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H39N7O2/c1-20-23(6-7-26(34)32-12-8-22(9-13-32)30-10-4-3-5-11-30)21(2)33(29-20)25-18-24(27-19-28-25)31-14-16-35-17-15-31/h18-19,22H,3-17H2,1-2H3
InChIKeyCFWBQYKCBSPTOE-UHFFFAOYSA-N
MW481.65 g/mol
LogP2.53
Rot. Bonds6

About 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one

3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (PubChem CID 50780492) has the molecular formula C26H39N7O2 and a molecular weight of 481.65 g/mol. Its IUPAC name is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.

Molecular Properties

Compound Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
PubChem CID50780492
Molecular FormulaC26H39N7O2
Molecular Weight481.65 g/mol
Exact Mass481.32
IUPAC Name3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one
SMILESCc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)N1CCC(N2CCCCC2)CC1
InChIInChI=1S/C26H39N7O2/c1-20-23(6-7-26(34)32-12-8-22(9-13-32)30-10-4-3-5-11-30)21(2)33(29-20)25-18-24(27-19-28-25)31-14-16-35-17-15-31/h18-19,22H,3-17H2,1-2H3
InChIKeyCFWBQYKCBSPTOE-UHFFFAOYSA-N
XLogP2.53
TPSA79.62 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.65
LogP ≤ 52.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one with MolForge

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Related Compounds

1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propan-1-one
CID 53069406
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-morpholin-4-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946972
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(5-methylfuran-2-yl)methyl]propanamide
CID 53069605
1-(azepan-1-yl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyridazin-3-yl)pyrazol-4-yl]propan-1-one
CID 20946910
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-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-N-[(3-methoxyphenyl)methyl]propanamide
CID 53069596
N-(4-bromophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069539
3-[3,5-dimethyl-1-(6-pyrrolidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-phenylethyl)propanamide
CID 53069421
N-(2-chlorophenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069471
N-(2,4-dimethylphenyl)-3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]propanamide
CID 53069503
3-[1-[6-(dimethylamino)pyrimidin-4-yl]-3,5-dimethylpyrazol-4-yl]-1-(4-phenylpiperazin-1-yl)propan-1-one
CID 53069654
3-[3,5-dimethyl-1-(6-piperidin-1-ylpyrimidin-4-yl)pyrazol-4-yl]-N-(2-thiophen-2-ylethyl)propanamide
CID 53069547

Frequently Asked Questions

What is the IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The IUPAC name of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one (CID 50780492) is 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one.
What is the SMILES notation for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The canonical SMILES for 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is Cc1nn(-c2cc(N3CCOCC3)ncn2)c(C)c1CCC(=O)N1CCC(N2CCCCC2)CC1.
What is the InChIKey of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
The InChIKey is CFWBQYKCBSPTOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H39N7O2/c1-20-23(6-7-26(34)32-12-8-22(9-13-32)30-10-4-3-5-11-30)21(2)33(29-20)25-18-24(27-19-28-25)31-14-16-35-17-15-31/h18-19,22H,3-17H2,1-2H3.
What are the key properties of 3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one?
3-[3,5-dimethyl-1-(6-morpholin-4-ylpyrimidin-4-yl)pyrazol-4-yl]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one has a molecular weight of 481.65 g/mol, XLogP of 2.53, 6 rotatable bonds, 0 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]-1-(4-piperidin-1-ylpiperidin-1-yl)propan-1-one is sourced from PubChem (CID 50780492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).