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

C25H29FN6O2 — CID 24803428

IUPAC[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
SMILESCc1ncc(-c2nc(NC3CCN(C(=O)c4ccccc4)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)29-19-7-11-31(12-8-19)24(33)18-5-3-2-4-6-18/h2-6,15-16,19-20H,7-14H2,1H3,(H,28,29,30)
InChIKeyZGFJPECICPWLOK-UHFFFAOYSA-N
MW464.55 g/mol
LogP3.86
Rot. Bonds5

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

[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone (PubChem CID 24803428) 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]piperidin-1-yl]-phenylmethanone.

Molecular Properties

Compound Name[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone
PubChem CID24803428
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]piperidin-1-yl]-phenylmethanone
SMILESCc1ncc(-c2nc(NC3CCN(C(=O)c4ccccc4)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)29-19-7-11-31(12-8-19)24(33)18-5-3-2-4-6-18/h2-6,15-16,19-20H,7-14H2,1H3,(H,28,29,30)
InChIKeyZGFJPECICPWLOK-UHFFFAOYSA-N
XLogP3.86
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 ≤ 53.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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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]piperidin-1-yl]-phenylmethanone?
The IUPAC name of [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone (CID 24803428) is [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone.
What is the SMILES notation for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone?
The canonical SMILES for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone is Cc1ncc(-c2nc(NC3CCN(C(=O)c4ccccc4)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]piperidin-1-yl]-phenylmethanone?
The InChIKey is ZGFJPECICPWLOK-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)29-19-7-11-31(12-8-19)24(33)18-5-3-2-4-6-18/h2-6,15-16,19-20H,7-14H2,1H3,(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]piperidin-1-yl]-phenylmethanone?
[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]piperidin-1-yl]-phenylmethanone has a molecular weight of 464.55 g/mol, XLogP of 3.86, 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]piperidin-1-yl]-phenylmethanone is sourced from PubChem (CID 24803428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).