1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone

C22H25N5O2S — CID 46962225

IUPAC1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccsc3)CC2)on1
InChIInChI=1S/C22H25N5O2S/c1-14-10-19(29-26-14)18-12-23-22(24-17-2-3-17)25-21(18)16-4-7-27(8-5-16)20(28)11-15-6-9-30-13-15/h6,9-10,12-13,16-17H,2-5,7-8,11H2,1H3,(H,23,24,25)
InChIKeyGLHWPJMCCQHGKX-UHFFFAOYSA-N
MW423.54 g/mol
LogP4.02
Rot. Bonds6

About 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone

1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone (PubChem CID 46962225) has the molecular formula C22H25N5O2S and a molecular weight of 423.54 g/mol. Its IUPAC name is 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone.

Molecular Properties

Compound Name1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
PubChem CID46962225
Molecular FormulaC22H25N5O2S
Molecular Weight423.54 g/mol
Exact Mass423.17
IUPAC Name1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone
SMILESCc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccsc3)CC2)on1
InChIInChI=1S/C22H25N5O2S/c1-14-10-19(29-26-14)18-12-23-22(24-17-2-3-17)25-21(18)16-4-7-27(8-5-16)20(28)11-15-6-9-30-13-15/h6,9-10,12-13,16-17H,2-5,7-8,11H2,1H3,(H,23,24,25)
InChIKeyGLHWPJMCCQHGKX-UHFFFAOYSA-N
XLogP4.02
TPSA84.15 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.54
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-(3,5-dimethyl-1,2-oxazol-4-yl)methanone
CID 46962305
1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-(5-methylthiophen-2-yl)ethanone
CID 16670129
2-(2-fluorophenyl)-1-[4-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670042
1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 122186922
1-[4-(5-phenyl-2-pyridin-3-ylpyrimidin-4-yl)piperidin-1-yl]-2-thiophen-3-ylethanone
CID 26321904
1-[3-(4,6-dimethylpyrimidin-2-yl)pyrrolidin-1-yl]-2-thiophen-3-ylethanone
CID 127246649
2-(4-fluorophenyl)-1-[3-[2-methyl-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]ethanone
CID 16670305
2-(4-methoxyphenyl)-1-[4-[5-(3-methyl-1,2-oxazol-5-yl)-4-propan-2-ylpyrimidin-2-yl]piperidin-1-yl]ethanone
CID 92554353
furan-2-yl-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 46952660
(2,5-dimethyl-1H-pyrrol-3-yl)-[4-[5-(3-methyl-1,2-oxazol-5-yl)-2-(propan-2-ylamino)pyrimidin-4-yl]piperidin-1-yl]methanone
CID 95799720
(2S)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 92554610
(2R)-N-[[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]methyl]-N-methyloxolane-2-carboxamide
CID 92554611

Frequently Asked Questions

What is the IUPAC name of 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The IUPAC name of 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone (CID 46962225) is 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone.
What is the SMILES notation for 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The canonical SMILES for 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone is Cc1cc(-c2cnc(NC3CC3)nc2C2CCN(C(=O)Cc3ccsc3)CC2)on1.
What is the InChIKey of 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
The InChIKey is GLHWPJMCCQHGKX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N5O2S/c1-14-10-19(29-26-14)18-12-23-22(24-17-2-3-17)25-21(18)16-4-7-27(8-5-16)20(28)11-15-6-9-30-13-15/h6,9-10,12-13,16-17H,2-5,7-8,11H2,1H3,(H,23,24,25).
What are the key properties of 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone?
1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone has a molecular weight of 423.54 g/mol, XLogP of 4.02, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[2-(cyclopropylamino)-5-(3-methyl-1,2-oxazol-5-yl)pyrimidin-4-yl]piperidin-1-yl]-2-thiophen-3-ylethanone is sourced from PubChem (CID 46962225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).