[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone

C25H29FN6O2 — CID 16665415

IUPAC[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCCC4)cc3)ncc2F)n1C1CCOCC1
InChIInChI=1S/C25H29FN6O2/c1-17-27-16-22(32(17)20-9-13-34-14-10-20)23-21(26)15-28-25(30-23)29-19-7-5-18(6-8-19)24(33)31-11-3-2-4-12-31/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,28,29,30)
InChIKeyIPKBZEWQPSFDIX-UHFFFAOYSA-N
MW464.55 g/mol
LogP4.51
Rot. Bonds5

About [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone

[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone (PubChem CID 16665415) has the molecular formula C25H29FN6O2 and a molecular weight of 464.55 g/mol. Its IUPAC name is [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone.

Molecular Properties

Compound Name[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone
PubChem CID16665415
Molecular FormulaC25H29FN6O2
Molecular Weight464.55 g/mol
Exact Mass464.23
IUPAC Name[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCCC4)cc3)ncc2F)n1C1CCOCC1
InChIInChI=1S/C25H29FN6O2/c1-17-27-16-22(32(17)20-9-13-34-14-10-20)23-21(26)15-28-25(30-23)29-19-7-5-18(6-8-19)24(33)31-11-3-2-4-12-31/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,28,29,30)
InChIKeyIPKBZEWQPSFDIX-UHFFFAOYSA-N
XLogP4.51
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.55
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone 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-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone?
The IUPAC name of [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone (CID 16665415) is [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone.
What is the SMILES notation for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone?
The canonical SMILES for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone is Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCCCC4)cc3)ncc2F)n1C1CCOCC1.
What is the InChIKey of [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone?
The InChIKey is IPKBZEWQPSFDIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29FN6O2/c1-17-27-16-22(32(17)20-9-13-34-14-10-20)23-21(26)15-28-25(30-23)29-19-7-5-18(6-8-19)24(33)31-11-3-2-4-12-31/h5-8,15-16,20H,2-4,9-14H2,1H3,(H,28,29,30).
What are the key properties of [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone?
[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone has a molecular weight of 464.55 g/mol, XLogP of 4.51, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-piperidin-1-ylmethanone is sourced from PubChem (CID 16665415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).