[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol

C17H21F3N6O — CID 155385461

IUPAC[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
SMILESOC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1
InChIKeyKXGFTHNEKPQMOG-CYBMUJFWSA-N
MW382.39 g/mol
LogP1.85
Rot. Bonds4

About [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol

[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol (PubChem CID 155385461) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol.

Molecular Properties

Compound Name[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
PubChem CID155385461
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
SMILESOC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1
InChIKeyKXGFTHNEKPQMOG-CYBMUJFWSA-N
XLogP1.85
TPSA79.10 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 51.85
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol 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

compound 18e (PMID: 31670517)
CID 139600335
Khk-IN-3
CID 155385439
3-[[1-[2-Fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]-methylamino]propan-1-ol
CID 155558403
2-(4-Fluorophenyl)-3-[2-(3-hydroxypropylamino)-4-pyrimidinyl]-6-(trifluoromethyl)pyrazolo[1,5-a]pyridine
CID 10203018
US11124500, Example 13
CID 155385391
[(2R)-1-[4-[1-(azetidin-3-yl)pyrazol-4-yl]-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol
CID 155385415
6-[1-(2-hydroxyethyl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-4-(trifluoromethyl)pyridine-3-carbonitrile
CID 155385419
4-[1-(azetidin-3-yl)pyrazol-4-yl]-2-[(2S)-2-methylazetidin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 155385428
N-[4-[4-[2-ethoxyethyl(methyl)amino]piperidin-1-yl]-3-fluorophenyl]-5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 155531460
[1-[2-Fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]methanol
CID 155538079
2-[[1-[2-Fluoro-4-[[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]amino]phenyl]piperidin-4-yl]amino]ethanol
CID 155544521
4-[1-(2-fluorophenyl)pyrazol-4-yl]-N-(oxan-4-yl)pyrimidin-2-amine
CID 30869391

Frequently Asked Questions

What is the IUPAC name of [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
The IUPAC name of [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol (CID 155385461) is [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol.
What is the SMILES notation for [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
The canonical SMILES for [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol is OC[C@H]1CCN1c1nc(-c2cnn(C3CCNCC3)c2)cc(C(F)(F)F)n1.
What is the InChIKey of [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
The InChIKey is KXGFTHNEKPQMOG-CYBMUJFWSA-N. The full InChI is InChI=1S/C17H21F3N6O/c18-17(19,20)15-7-14(23-16(24-15)25-6-3-13(25)10-27)11-8-22-26(9-11)12-1-4-21-5-2-12/h7-9,12-13,21,27H,1-6,10H2/t13-/m1/s1.
What are the key properties of [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol?
[(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol has a molecular weight of 382.39 g/mol, XLogP of 1.85, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-1-[4-(1-piperidin-4-ylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-yl]azetidin-2-yl]methanol is sourced from PubChem (CID 155385461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).