5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine

C25H32FN7O2 — CID 24803089

IUPAC5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCOC1CCN(Cc2ccc(Nc3ncc(F)c(-c4cnc(C)n4C4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C25H32FN7O2/c1-17-27-15-23(33(17)20-7-11-35-12-8-20)24-22(26)14-29-25(31-24)30-18-3-4-19(28-13-18)16-32-9-5-21(34-2)6-10-32/h3-4,13-15,20-21H,5-12,16H2,1-2H3,(H,29,30,31)
InChIKeyQICPUUKVRWQQPS-UHFFFAOYSA-N
MW481.58 g/mol
LogP3.89
Rot. Bonds7

About 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine

5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine (PubChem CID 24803089) has the molecular formula C25H32FN7O2 and a molecular weight of 481.58 g/mol. Its IUPAC name is 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
PubChem CID24803089
Molecular FormulaC25H32FN7O2
Molecular Weight481.58 g/mol
Exact Mass481.26
IUPAC Name5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
SMILESCOC1CCN(Cc2ccc(Nc3ncc(F)c(-c4cnc(C)n4C4CCOCC4)n3)cn2)CC1
InChIInChI=1S/C25H32FN7O2/c1-17-27-15-23(33(17)20-7-11-35-12-8-20)24-22(26)14-29-25(31-24)30-18-3-4-19(28-13-18)16-32-9-5-21(34-2)6-10-32/h3-4,13-15,20-21H,5-12,16H2,1-2H3,(H,29,30,31)
InChIKeyQICPUUKVRWQQPS-UHFFFAOYSA-N
XLogP3.89
TPSA90.22 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.58
LogP ≤ 53.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine
CID 16665251
2-[[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-2-pyridinyl]methylamino]acetonitrile
CID 24803262
N-[6-[[(6-chloro-3-pyridinyl)methylamino]methyl]-3-pyridinyl]-5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine
CID 24803087
(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]phenyl]-[4-(2-methoxyethyl)piperazin-1-yl]methanone;hydrochloride
CID 68973877
4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]pyridin-1-ium-1-carbaldehyde
CID 59774766
(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
N,N-diethyl-4-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]benzamide;hydrochloride
CID 68973871
[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
[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
1-[5-[[5-fluoro-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-yl]amino]-3-pyridinyl]ethanone
CID 24803590
4-(2,3-dimethylimidazol-4-yl)-5-fluoro-N-[4-(morpholin-4-ylmethyl)phenyl]pyrimidin-2-amine;hydrochloride
CID 16665248

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine (CID 24803089) is 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine is COC1CCN(Cc2ccc(Nc3ncc(F)c(-c4cnc(C)n4C4CCOCC4)n3)cn2)CC1.
What is the InChIKey of 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
The InChIKey is QICPUUKVRWQQPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32FN7O2/c1-17-27-15-23(33(17)20-7-11-35-12-8-20)24-22(26)14-29-25(31-24)30-18-3-4-19(28-13-18)16-32-9-5-21(34-2)6-10-32/h3-4,13-15,20-21H,5-12,16H2,1-2H3,(H,29,30,31).
What are the key properties of 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine?
5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine has a molecular weight of 481.58 g/mol, XLogP of 3.89, 7 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-N-[6-[(4-methoxypiperidin-1-yl)methyl]-3-pyridinyl]-4-[2-methyl-3-(oxan-4-yl)imidazol-4-yl]pyrimidin-2-amine is sourced from PubChem (CID 24803089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).