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

C26H29FN8S — CID 155566118

IUPAC4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccn(C4CCNCC4)n3)n2)cc1
InChIInChI=1S/C26H29FN8S/c27-19-3-1-17(2-4-19)23-24(36-25(33-23)18-5-11-28-12-6-18)21-9-15-30-26(31-21)32-22-10-16-35(34-22)20-7-13-29-14-8-20/h1-4,9-10,15-16,18,20,28-29H,5-8,11-14H2,(H,30,31,32,34)
InChIKeyUSPUDGHNJPCVCI-UHFFFAOYSA-N
MW504.64 g/mol
LogP4.74
Rot. Bonds6

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

4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine (PubChem CID 155566118) has the molecular formula C26H29FN8S and a molecular weight of 504.64 g/mol. Its IUPAC name is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine
PubChem CID155566118
Molecular FormulaC26H29FN8S
Molecular Weight504.64 g/mol
Exact Mass504.22
IUPAC Name4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine
SMILESFc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccn(C4CCNCC4)n3)n2)cc1
InChIInChI=1S/C26H29FN8S/c27-19-3-1-17(2-4-19)23-24(36-25(33-23)18-5-11-28-12-6-18)21-9-15-30-26(31-21)32-22-10-16-35(34-22)20-7-13-29-14-8-20/h1-4,9-10,15-16,18,20,28-29H,5-8,11-14H2,(H,30,31,32,34)
InChIKeyUSPUDGHNJPCVCI-UHFFFAOYSA-N
XLogP4.74
TPSA92.58 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500504.64
LogP ≤ 54.74
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Analyze 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-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 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine (CID 155566118) is 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine is Fc1ccc(-c2nc(C3CCNCC3)sc2-c2ccnc(Nc3ccn(C4CCNCC4)n3)n2)cc1.
What is the InChIKey of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine?
The InChIKey is USPUDGHNJPCVCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H29FN8S/c27-19-3-1-17(2-4-19)23-24(36-25(33-23)18-5-11-28-12-6-18)21-9-15-30-26(31-21)32-22-10-16-35(34-22)20-7-13-29-14-8-20/h1-4,9-10,15-16,18,20,28-29H,5-8,11-14H2,(H,30,31,32,34).
What are the key properties of 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine?
4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine has a molecular weight of 504.64 g/mol, XLogP of 4.74, 6 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]-N-(1-piperidin-4-ylpyrazol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 155566118), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).