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

C24H26F2N6O2 — CID 68973256

IUPAC[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)N4CCC(F)C4)cc3)ncc2F)n1C1CCOCC1
InChIInChI=1S/C24H26F2N6O2/c1-15-27-13-21(32(15)19-7-10-34-11-8-19)22-20(26)12-28-24(30-22)29-18-4-2-16(3-5-18)23(33)31-9-6-17(25)14-31/h2-5,12-13,17,19H,6-11,14H2,1H3,(H,28,29,30)
InChIKeyWSFVJCLAGDABQM-UHFFFAOYSA-N
MW468.51 g/mol
LogP4.07
Rot. Bonds5

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

[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone (PubChem CID 68973256) has the molecular formula C24H26F2N6O2 and a molecular weight of 468.51 g/mol. Its IUPAC name is [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone.

Molecular Properties

Compound Name[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone
PubChem CID68973256
Molecular FormulaC24H26F2N6O2
Molecular Weight468.51 g/mol
Exact Mass468.21
IUPAC Name[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone
SMILESCc1ncc(-c2nc(Nc3ccc(C(=O)N4CCC(F)C4)cc3)ncc2F)n1C1CCOCC1
InChIInChI=1S/C24H26F2N6O2/c1-15-27-13-21(32(15)19-7-10-34-11-8-19)22-20(26)12-28-24(30-22)29-18-4-2-16(3-5-18)23(33)31-9-6-17(25)14-31/h2-5,12-13,17,19H,6-11,14H2,1H3,(H,28,29,30)
InChIKeyWSFVJCLAGDABQM-UHFFFAOYSA-N
XLogP4.07
TPSA85.17 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.51
LogP ≤ 54.07
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]-(3-fluoropyrrolidin-1-yl)methanone with MolForge

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Related Compounds

[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone;hydrochloride
CID 68973664
[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;hydrochloride
CID 68973877
N,N-diethyl-4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 68973871
(2,3-difluoropyrrolidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone
CID 69031669
4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridin-1-ium-1-carbaldehyde
CID 59774766
5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 16665251
1-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-3-pyridinyl]ethanone
CID 24803590
(2,6-dimethylpiperidin-1-yl)-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methanone
CID 59774740
[4-[[4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 16665954
5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-amine;[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
CID 159560710
4-[[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]methyl]benzamide
CID 91611103
[4-[[5-fluoro-4-(2-methyl-3-propan-2-ylimidazol-4-yl)pyrimidin-2-yl]amino]phenyl]-[4-(4-methylpiperazin-1-yl)piperidin-1-yl]methanone
CID 67037200

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]-(3-fluoropyrrolidin-1-yl)methanone?
The IUPAC name of [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone (CID 68973256) is [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone.
What is the SMILES notation for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone?
The canonical SMILES for [4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone is Cc1ncc(-c2nc(Nc3ccc(C(=O)N4CCC(F)C4)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]-(3-fluoropyrrolidin-1-yl)methanone?
The InChIKey is WSFVJCLAGDABQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26F2N6O2/c1-15-27-13-21(32(15)19-7-10-34-11-8-19)22-20(26)12-28-24(30-22)29-18-4-2-16(3-5-18)23(33)31-9-6-17(25)14-31/h2-5,12-13,17,19H,6-11,14H2,1H3,(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]-(3-fluoropyrrolidin-1-yl)methanone?
[4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]phenyl]-(3-fluoropyrrolidin-1-yl)methanone has a molecular weight of 468.51 g/mol, XLogP of 4.07, 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]-(3-fluoropyrrolidin-1-yl)methanone is sourced from PubChem (CID 68973256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).