[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone

C25H23FN6O2 — CID 91375661

IUPAC[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(C(=O)c5ccccn5)cc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C25H23FN6O2/c1-15-12-17(9-11-34-15)24-28-14-21(31-24)22-19(26)13-29-25(32-22)30-18-7-5-16(6-8-18)23(33)20-4-2-3-10-27-20/h2-8,10,13-15,17H,9,11-12H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyZPRNHVAYIBDTON-UHFFFAOYSA-N
MW458.50 g/mol
LogP4.66
Rot. Bonds6

About [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone

[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone (PubChem CID 91375661) has the molecular formula C25H23FN6O2 and a molecular weight of 458.50 g/mol. Its IUPAC name is [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone.

Molecular Properties

Compound Name[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
PubChem CID91375661
Molecular FormulaC25H23FN6O2
Molecular Weight458.50 g/mol
Exact Mass458.19
IUPAC Name[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone
SMILESCC1CC(c2ncc(-c3nc(Nc4ccc(C(=O)c5ccccn5)cc4)ncc3F)[nH]2)CCO1
InChIInChI=1S/C25H23FN6O2/c1-15-12-17(9-11-34-15)24-28-14-21(31-24)22-19(26)13-29-25(32-22)30-18-7-5-16(6-8-18)23(33)20-4-2-3-10-27-20/h2-8,10,13-15,17H,9,11-12H2,1H3,(H,28,31)(H,29,30,32)
InChIKeyZPRNHVAYIBDTON-UHFFFAOYSA-N
XLogP4.66
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500458.50
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone with MolForge

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Related Compounds

(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
5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]-N-(6-methylsulfonyl-3-pyridinyl)pyrimidin-2-amine
CID 91047507
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-(3-methylsulfonylphenyl)pyrimidin-2-amine
CID 91448264
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
[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-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
[4-[[5-fluoro-4-[2-methylsulfonyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone;hydrochloride
CID 69259580
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

Frequently Asked Questions

What is the IUPAC name of [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
The IUPAC name of [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone (CID 91375661) is [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone.
What is the SMILES notation for [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
The canonical SMILES for [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone is CC1CC(c2ncc(-c3nc(Nc4ccc(C(=O)c5ccccn5)cc4)ncc3F)[nH]2)CCO1.
What is the InChIKey of [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
The InChIKey is ZPRNHVAYIBDTON-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23FN6O2/c1-15-12-17(9-11-34-15)24-28-14-21(31-24)22-19(26)13-29-25(32-22)30-18-7-5-16(6-8-18)23(33)20-4-2-3-10-27-20/h2-8,10,13-15,17H,9,11-12H2,1H3,(H,28,31)(H,29,30,32).
What are the key properties of [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone?
[4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone has a molecular weight of 458.50 g/mol, XLogP of 4.66, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[[5-fluoro-4-[2-(2-methyloxan-4-yl)-1H-imidazol-5-yl]pyrimidin-2-yl]amino]phenyl]-pyridin-2-ylmethanone is sourced from PubChem (CID 91375661), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).