(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone

C23H23F3N6O2 — CID 91379090

IUPAC(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(C(=O)N5CC(F)(F)C5)cc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C23H23F3N6O2/c1-13-8-15(6-7-34-13)20-27-10-18(30-20)19-17(24)9-28-22(31-19)29-16-4-2-14(3-5-16)21(33)32-11-23(25,26)12-32/h2-5,9-10,13,15H,6-8,11-12H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyOAYABUBQRVBHRN-UHFFFAOYSA-N
MW472.47 g/mol
LogP4.12
Rot. Bonds5

About (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone

(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone (PubChem CID 91379090) has the molecular formula C23H23F3N6O2 and a molecular weight of 472.47 g/mol. Its IUPAC name is (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone.

Molecular Properties

Compound Name(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone
PubChem CID91379090
Molecular FormulaC23H23F3N6O2
Molecular Weight472.47 g/mol
Exact Mass472.18
IUPAC Name(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(C(=O)N5CC(F)(F)C5)cc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C23H23F3N6O2/c1-13-8-15(6-7-34-13)20-27-10-18(30-20)19-17(24)9-28-22(31-19)29-16-4-2-14(3-5-16)21(33)32-11-23(25,26)12-32/h2-5,9-10,13,15H,6-8,11-12H2,1H3,(H,27,30)(H,28,29,31)
InChIKeyOAYABUBQRVBHRN-UHFFFAOYSA-N
XLogP4.12
TPSA96.03 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.47
LogP ≤ 54.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
CID 91375661
4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]benzonitrile
CID 91238918
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
CID 91047507
[2-chloro-4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 90876614
5-fluoro-N-[4-(2-methoxyethylsulfonyl)phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91318883
N-[4-(4-ethylpiperazin-1-yl)sulfonylphenyl]-5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91282704
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(3-methylsulfonylphenyl)pyrimidin-2-amine
CID 91448264
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-[6-(piperidin-1-ylmethyl)-3-pyridinyl]pyrimidin-2-amine
CID 90964170
2-[[5-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methylamino]acetonitrile
CID 91463500
N-[6-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3-pyridinyl]-5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91178835
5-fluoro-N-[2-fluoro-4-[(3-methylmorpholin-4-yl)methyl]phenyl]-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-amine
CID 91066839
N-[2-(3,3-difluoropyrrolidin-1-yl)ethyl]-4-[[5-fluoro-4-[3-(2-methyloxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]benzamide
CID 69257722

Frequently Asked Questions

What is the IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone?
The IUPAC name of (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone (CID 91379090) is (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone.
What is the SMILES notation for (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone?
The canonical SMILES for (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone is CC1CC(c2ncc(-c3nc(Nc4ccc(C(=O)N5CC(F)(F)C5)cc4)ncc3F)[nH]2)CCO1.
What is the InChIKey of (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone?
The InChIKey is OAYABUBQRVBHRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23F3N6O2/c1-13-8-15(6-7-34-13)20-27-10-18(30-20)19-17(24)9-28-22(31-19)29-16-4-2-14(3-5-16)21(33)32-11-23(25,26)12-32/h2-5,9-10,13,15H,6-8,11-12H2,1H3,(H,27,30)(H,28,29,31).
What are the key properties of (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone?
(3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone has a molecular weight of 472.47 g/mol, XLogP of 4.12, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3,3-difluoroazetidin-1-yl)-[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]methanone is sourced from PubChem (CID 91379090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).