N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

C17H16ClFN6O2 — CID 53196405

IUPACN-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1ncc2c(N3CCOCC3)ncnc21)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN6O2/c18-13-7-11(19)1-2-14(13)23-15(26)9-25-17-12(8-22-25)16(20-10-21-17)24-3-5-27-6-4-24/h1-2,7-8,10H,3-6,9H2,(H,23,26)
InChIKeyOLROOAMMLUWITG-UHFFFAOYSA-N
MW390.81 g/mol
LogP2.09
Rot. Bonds4

About N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide

N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (PubChem CID 53196405) has the molecular formula C17H16ClFN6O2 and a molecular weight of 390.81 g/mol. Its IUPAC name is N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.

Molecular Properties

Compound NameN-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
PubChem CID53196405
Molecular FormulaC17H16ClFN6O2
Molecular Weight390.81 g/mol
Exact Mass390.10
IUPAC NameN-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide
SMILESO=C(Cn1ncc2c(N3CCOCC3)ncnc21)Nc1ccc(F)cc1Cl
InChIInChI=1S/C17H16ClFN6O2/c18-13-7-11(19)1-2-14(13)23-15(26)9-25-17-12(8-22-25)16(20-10-21-17)24-3-5-27-6-4-24/h1-2,7-8,10H,3-6,9H2,(H,23,26)
InChIKeyOLROOAMMLUWITG-UHFFFAOYSA-N
XLogP2.09
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.81
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide 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 N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The IUPAC name of N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide (CID 53196405) is N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide.
What is the SMILES notation for N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The canonical SMILES for N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is O=C(Cn1ncc2c(N3CCOCC3)ncnc21)Nc1ccc(F)cc1Cl.
What is the InChIKey of N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
The InChIKey is OLROOAMMLUWITG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16ClFN6O2/c18-13-7-11(19)1-2-14(13)23-15(26)9-25-17-12(8-22-25)16(20-10-21-17)24-3-5-27-6-4-24/h1-2,7-8,10H,3-6,9H2,(H,23,26).
What are the key properties of N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide?
N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide has a molecular weight of 390.81 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4-fluorophenyl)-2-(4-morpholin-4-ylpyrazolo[5,4-d]pyrimidin-1-yl)acetamide is sourced from PubChem (CID 53196405), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).