4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one

C23H21FN6OS — CID 155543994

IUPAC4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc[nH]1
InChIInChI=1S/C23H21FN6OS/c24-16-3-1-14(2-4-16)20-21(32-22(30-20)15-5-9-25-10-6-15)18-8-12-27-23(29-18)28-17-7-11-26-19(31)13-17/h1-4,7-8,11-13,15,25H,5-6,9-10H2,(H2,26,27,28,29,31)
InChIKeyMWEPLAWULCFLFM-UHFFFAOYSA-N
MW448.53 g/mol
LogP4.31
Rot. Bonds5

About 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one

4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one (PubChem CID 155543994) has the molecular formula C23H21FN6OS and a molecular weight of 448.53 g/mol. Its IUPAC name is 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one
PubChem CID155543994
Molecular FormulaC23H21FN6OS
Molecular Weight448.53 g/mol
Exact Mass448.15
IUPAC Name4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one
SMILESO=c1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc[nH]1
InChIInChI=1S/C23H21FN6OS/c24-16-3-1-14(2-4-16)20-21(32-22(30-20)15-5-9-25-10-6-15)18-8-12-27-23(29-18)28-17-7-11-26-19(31)13-17/h1-4,7-8,11-13,15,25H,5-6,9-10H2,(H2,26,27,28,29,31)
InChIKeyMWEPLAWULCFLFM-UHFFFAOYSA-N
XLogP4.31
TPSA95.59 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500448.53
LogP ≤ 54.31
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The IUPAC name of 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one (CID 155543994) is 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one.
What is the SMILES notation for 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The canonical SMILES for 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one is O=c1cc(Nc2nccc(-c3sc(C4CCNCC4)nc3-c3ccc(F)cc3)n2)cc[nH]1.
What is the InChIKey of 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
The InChIKey is MWEPLAWULCFLFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21FN6OS/c24-16-3-1-14(2-4-16)20-21(32-22(30-20)15-5-9-25-10-6-15)18-8-12-27-23(29-18)28-17-7-11-26-19(31)13-17/h1-4,7-8,11-13,15,25H,5-6,9-10H2,(H2,26,27,28,29,31).
What are the key properties of 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one?
4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one has a molecular weight of 448.53 g/mol, XLogP of 4.31, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[4-[4-(4-fluorophenyl)-2-piperidin-4-yl-1,3-thiazol-5-yl]pyrimidin-2-yl]amino]-1H-pyridin-2-one is sourced from PubChem (CID 155543994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).