N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

C23H24FN7S — CID 155533686

IUPACN-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)nn1C
InChIInChI=1S/C23H24FN7S/c1-14-13-19(30-31(14)2)28-23-26-12-9-18(27-23)21-20(15-3-5-17(24)6-4-15)29-22(32-21)16-7-10-25-11-8-16/h3-6,9,12-13,16,25H,7-8,10-11H2,1-2H3,(H,26,27,28,30)
InChIKeySUCMYGZDCDSZOY-UHFFFAOYSA-N
MW449.56 g/mol
LogP4.66
Rot. Bonds5

About N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine

N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (PubChem CID 155533686) has the molecular formula C23H24FN7S and a molecular weight of 449.56 g/mol. Its IUPAC name is N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.

Molecular Properties

Compound NameN-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
PubChem CID155533686
Molecular FormulaC23H24FN7S
Molecular Weight449.56 g/mol
Exact Mass449.18
IUPAC NameN-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine
SMILESCc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)nn1C
InChIInChI=1S/C23H24FN7S/c1-14-13-19(30-31(14)2)28-23-26-12-9-18(27-23)21-20(15-3-5-17(24)6-4-15)29-22(32-21)16-7-10-25-11-8-16/h3-6,9,12-13,16,25H,7-8,10-11H2,1-2H3,(H,26,27,28,30)
InChIKeySUCMYGZDCDSZOY-UHFFFAOYSA-N
XLogP4.66
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine 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-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The IUPAC name of N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine (CID 155533686) is N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine.
What is the SMILES notation for N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The canonical SMILES for N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is Cc1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)nn1C.
What is the InChIKey of N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
The InChIKey is SUCMYGZDCDSZOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24FN7S/c1-14-13-19(30-31(14)2)28-23-26-12-9-18(27-23)21-20(15-3-5-17(24)6-4-15)29-22(32-21)16-7-10-25-11-8-16/h3-6,9,12-13,16,25H,7-8,10-11H2,1-2H3,(H,26,27,28,30).
What are the key properties of N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine?
N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine has a molecular weight of 449.56 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1,5-dimethylpyrazol-3-yl)-4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-amine is sourced from PubChem (CID 155533686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).