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

C23H28FN7O2 — CID 90435660

IUPAC4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1ccc(F)c(CCc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc2)c1
InChIInChI=1S/C23H28FN7O2/c1-25-22(32)19-4-5-21(24)18(12-19)3-2-17-13-26-23(27-14-17)29-20-15-28-31(16-20)7-6-30-8-10-33-11-9-30/h4-5,12-16H,2-3,6-11H2,1H3,(H,25,32)(H,26,27,29)
InChIKeyZDNZYGLNLZTTLY-UHFFFAOYSA-N
MW453.52 g/mol
LogP2.03
Rot. Bonds9

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

4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (PubChem CID 90435660) has the molecular formula C23H28FN7O2 and a molecular weight of 453.52 g/mol. Its IUPAC name is 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
PubChem CID90435660
Molecular FormulaC23H28FN7O2
Molecular Weight453.52 g/mol
Exact Mass453.23
IUPAC Name4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide
SMILESCNC(=O)c1ccc(F)c(CCc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc2)c1
InChIInChI=1S/C23H28FN7O2/c1-25-22(32)19-4-5-21(24)18(12-19)3-2-17-13-26-23(27-14-17)29-20-15-28-31(16-20)7-6-30-8-10-33-11-9-30/h4-5,12-16H,2-3,6-11H2,1H3,(H,25,32)(H,26,27,29)
InChIKeyZDNZYGLNLZTTLY-UHFFFAOYSA-N
XLogP2.03
TPSA97.20 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.52
LogP ≤ 52.03
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The IUPAC name of 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide (CID 90435660) is 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide.
What is the SMILES notation for 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The canonical SMILES for 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is CNC(=O)c1ccc(F)c(CCc2cnc(Nc3cnn(CCN4CCOCC4)c3)nc2)c1.
What is the InChIKey of 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
The InChIKey is ZDNZYGLNLZTTLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H28FN7O2/c1-25-22(32)19-4-5-21(24)18(12-19)3-2-17-13-26-23(27-14-17)29-20-15-28-31(16-20)7-6-30-8-10-33-11-9-30/h4-5,12-16H,2-3,6-11H2,1H3,(H,25,32)(H,26,27,29).
What are the key properties of 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide?
4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide has a molecular weight of 453.52 g/mol, XLogP of 2.03, 9 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-N-methyl-3-[2-[2-[[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]amino]pyrimidin-5-yl]ethyl]benzamide is sourced from PubChem (CID 90435660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).