[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone

C21H17FN6O — CID 16666435

IUPAC[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)c4ccccn4)cc3)ncc2F)n1C
InChIInChI=1S/C21H17FN6O/c1-13-24-12-18(28(13)2)19-16(22)11-25-21(27-19)26-15-8-6-14(7-9-15)20(29)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,25,26,27)
InChIKeyZCYILGVFPAOHQH-UHFFFAOYSA-N
MW388.41 g/mol
LogP3.69
Rot. Bonds5

About [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone

[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone (PubChem CID 16666435) has the molecular formula C21H17FN6O and a molecular weight of 388.41 g/mol. Its IUPAC name is [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
PubChem CID16666435
Molecular FormulaC21H17FN6O
Molecular Weight388.41 g/mol
Exact Mass388.14
IUPAC Name[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)c4ccccn4)cc3)ncc2F)n1C
InChIInChI=1S/C21H17FN6O/c1-13-24-12-18(28(13)2)19-16(22)11-25-21(27-19)26-15-8-6-14(7-9-15)20(29)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,25,26,27)
InChIKeyZCYILGVFPAOHQH-UHFFFAOYSA-N
XLogP3.69
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.41
LogP ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone (CID 16666435) is [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone is Cc1ncc(-c2nc(Nc3ccc(C(=O)c4ccccn4)cc3)ncc2F)n1C.
What is the InChIKey of [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
The InChIKey is ZCYILGVFPAOHQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H17FN6O/c1-13-24-12-18(28(13)2)19-16(22)11-25-21(27-19)26-15-8-6-14(7-9-15)20(29)17-5-3-4-10-23-17/h3-12H,1-2H3,(H,25,26,27).
What are the key properties of [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
[4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone has a molecular weight of 388.41 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[4-(2,3-dimethylimidazol-4-yl)-5-fluoropyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 16666435), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).