4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

C25H26F3N5O2 — CID 163643353

IUPAC4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCO[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(C3=CCc4cc(-c5c(C)noc5C)ccc43)n2)C1
InChIInChI=1S/C25H26F3N5O2/c1-13-22(14(2)35-33-13)16-5-6-19-15(8-16)4-7-20(19)23-21(25(26,27)28)12-30-24(32-23)31-17-9-18(34-3)11-29-10-17/h5-8,12,17-18,29H,4,9-11H2,1-3H3,(H,30,31,32)/t17-,18+/m0/s1
InChIKeyXDPUFWLXBAVZGE-ZWKOTPCHSA-N
MW485.51 g/mol
LogP4.54
Rot. Bonds5

About 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine

4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 163643353) has the molecular formula C25H26F3N5O2 and a molecular weight of 485.51 g/mol. Its IUPAC name is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID163643353
Molecular FormulaC25H26F3N5O2
Molecular Weight485.51 g/mol
Exact Mass485.20
IUPAC Name4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCO[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(C3=CCc4cc(-c5c(C)noc5C)ccc43)n2)C1
InChIInChI=1S/C25H26F3N5O2/c1-13-22(14(2)35-33-13)16-5-6-19-15(8-16)4-7-20(19)23-21(25(26,27)28)12-30-24(32-23)31-17-9-18(34-3)11-29-10-17/h5-8,12,17-18,29H,4,9-11H2,1-3H3,(H,30,31,32)/t17-,18+/m0/s1
InChIKeyXDPUFWLXBAVZGE-ZWKOTPCHSA-N
XLogP4.54
TPSA85.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.51
LogP ≤ 54.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine 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

5-(1,1-difluoroethyl)-4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S)-5,5-dimethylpiperidin-3-yl]pyrimidin-2-amine
CID 167554178
4-[5-(1,3-oxazol-2-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163941429
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(3R,6R)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163944155
5-(1,1-difluoroethyl)-4-[5-(3-methyl-1,2-thiazol-4-yl)-3H-inden-1-yl]-N-[(3S)-piperidin-3-yl]pyrimidin-2-amine
CID 167548923
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-cyclopenta[b]pyridin-5-yl]-N-[(1S,2R)-2-(3-fluoroazetidin-1-yl)cyclopentyl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163779619
(1R,2R,4S)-N-[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]-7-azabicyclo[2.2.1]heptan-2-amine
CID 166929426
N-cyclopentyl-4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-pyrrolo[2,3-b]pyridin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 139335846
tert-butyl (1R,4S)-2-[[4-[6-(3,5-dimethyl-1,2-oxazol-4-yl)-1H-indol-3-yl]-5-(trifluoromethyl)pyrimidin-2-yl]amino]-7-azabicyclo[2.2.1]heptane-7-carboxylate
CID 175995140
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S)-6,6-dimethylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163997066
4-[2-(3,5-dimethyl-1,2-oxazol-4-yl)-7H-pyrrolo[3,4-b]pyridin-5-yl]-N-[(3S,6S)-6-methylpiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine
CID 163931017
N-[(3S)-5-[tert-butyl(dimethyl)silyl]oxypiperidin-3-yl]-4-(1H-indol-3-yl)-5-(trifluoromethyl)pyrimidin-2-amine
CID 174069014
azetidin-3-ol;4-[1-(benzenesulfonyl)-6-(3,5-dimethyl-1,2-oxazol-4-yl)pyrrolo[2,3-b]pyridin-3-yl]-N-cyclopentyl-5-(trifluoromethyl)pyrimidin-2-amine
CID 142624296

Frequently Asked Questions

What is the IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 163643353) is 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is CO[C@H]1CNC[C@@H](Nc2ncc(C(F)(F)F)c(C3=CCc4cc(-c5c(C)noc5C)ccc43)n2)C1.
What is the InChIKey of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is XDPUFWLXBAVZGE-ZWKOTPCHSA-N. The full InChI is InChI=1S/C25H26F3N5O2/c1-13-22(14(2)35-33-13)16-5-6-19-15(8-16)4-7-20(19)23-21(25(26,27)28)12-30-24(32-23)31-17-9-18(34-3)11-29-10-17/h5-8,12,17-18,29H,4,9-11H2,1-3H3,(H,30,31,32)/t17-,18+/m0/s1.
What are the key properties of 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine?
4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 485.51 g/mol, XLogP of 4.54, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(3,5-dimethyl-1,2-oxazol-4-yl)-3H-inden-1-yl]-N-[(3S,5R)-5-methoxypiperidin-3-yl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 163643353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).