4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde

C25H31FN6O2 — CID 144700537

IUPAC4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde
SMILESCCCc1cc(C=O)cc(CCc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc2)c1F
InChIInChI=1S/C25H31FN6O2/c1-2-3-21-12-20(18-33)13-22(24(21)26)5-4-19-14-27-25(28-15-19)30-23-16-29-32(17-23)7-6-31-8-10-34-11-9-31/h12-18H,2-11H2,1H3,(H,27,28,30)
InChIKeyABBJDUBMLLNVOR-UHFFFAOYSA-N
MW466.56 g/mol
LogP3.44
Rot. Bonds11

About 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde

4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde (PubChem CID 144700537) has the molecular formula C25H31FN6O2 and a molecular weight of 466.56 g/mol. Its IUPAC name is 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde.

Molecular Properties

Compound Name4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde
PubChem CID144700537
Molecular FormulaC25H31FN6O2
Molecular Weight466.56 g/mol
Exact Mass466.25
IUPAC Name4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde
SMILESCCCc1cc(C=O)cc(CCc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc2)c1F
InChIInChI=1S/C25H31FN6O2/c1-2-3-21-12-20(18-33)13-22(24(21)26)5-4-19-14-27-25(28-15-19)30-23-16-29-32(17-23)7-6-31-8-10-34-11-9-31/h12-18H,2-11H2,1H3,(H,27,28,30)
InChIKeyABBJDUBMLLNVOR-UHFFFAOYSA-N
XLogP3.44
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500466.56
LogP ≤ 53.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[6-methyl-5-(8-morpholin-4-ylimidazo[1,2-b]pyridazin-6-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 90456664
3-(difluoromethyl)-N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]benzamide
CID 90463206
US10245267, Example 880
CID 90463501
N-[6-methyl-5-(7-morpholin-4-ylpyrazolo[1,5-a]pyrimidin-5-yl)pyridin-3-yl]-3-(trifluoromethyl)benzamide
CID 117609884
US11344549, Example 144
CID 165112339
3-(1-methyl-1H-pyrazol-3-yl)-N-(2-(2-morpholinoethyl)-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 118393335
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(2-((3-oxomorpholino)methyl)-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 118393336
2-fluoro-5-(1-methyl-1H-pyrazol-3-yl)-N-(2-(2-morpholino-2-oxoethyl)-4-phenylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 118393462
US11814384, Example 204
CID 169077706
US11814384, Example 309
CID 169077733
US11814384, Example 285
CID 169077747
US11247989, Example 170
CID 132186722

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde?
The IUPAC name of 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde (CID 144700537) is 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde.
What is the SMILES notation for 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde?
The canonical SMILES for 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde is CCCc1cc(C=O)cc(CCc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc2)c1F.
What is the InChIKey of 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde?
The InChIKey is ABBJDUBMLLNVOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31FN6O2/c1-2-3-21-12-20(18-33)13-22(24(21)26)5-4-19-14-27-25(28-15-19)30-23-16-29-32(17-23)7-6-31-8-10-34-11-9-31/h12-18H,2-11H2,1H3,(H,27,28,30).
What are the key properties of 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde?
4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde has a molecular weight of 466.56 g/mol, XLogP of 3.44, 11 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]-5-propylbenzaldehyde is sourced from PubChem (CID 144700537), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).