4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol

C19H26FN5O2 — CID 165385704

IUPAC4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC34CCC(O)(CC3)CC4)n2)cn1
InChIInChI=1S/C19H26FN5O2/c1-13(2)25-11-14(9-22-25)23-17-21-10-15(20)16(24-17)27-12-18-3-6-19(26,7-4-18)8-5-18/h9-11,13,26H,3-8,12H2,1-2H3,(H,21,23,24)
InChIKeyXTFXLUKCAJBRLR-UHFFFAOYSA-N
MW375.45 g/mol
LogP3.60
Rot. Bonds6

About 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol

4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol (PubChem CID 165385704) has the molecular formula C19H26FN5O2 and a molecular weight of 375.45 g/mol. Its IUPAC name is 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol.

Molecular Properties

Compound Name4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol
PubChem CID165385704
Molecular FormulaC19H26FN5O2
Molecular Weight375.45 g/mol
Exact Mass375.21
IUPAC Name4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol
SMILESCC(C)n1cc(Nc2ncc(F)c(OCC34CCC(O)(CC3)CC4)n2)cn1
InChIInChI=1S/C19H26FN5O2/c1-13(2)25-11-14(9-22-25)23-17-21-10-15(20)16(24-17)27-12-18-3-6-19(26,7-4-18)8-5-18/h9-11,13,26H,3-8,12H2,1-2H3,(H,21,23,24)
InChIKeyXTFXLUKCAJBRLR-UHFFFAOYSA-N
XLogP3.60
TPSA85.09 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.45
LogP ≤ 53.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol 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

2,2,2-trifluoro-N-[4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
CID 165385529
4-[[5-fluoro-2-[[1-(2-isocyanopropan-2-yl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexan-1-ol
CID 165385519
8-propan-2-yl-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrido[2,3-d]pyrimidin-7-one
CID 163196400
4-(cyclohexylmethoxy)-5-fluoro-N-(3-methoxy-1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 175805419
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2-methoxyethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805479
4-(cyclohexylmethoxy)-5-fluoro-N-[1-(2,2,2-trifluoroethyl)pyrazol-4-yl]pyrimidin-2-amine
CID 175805342
4-[[4-(methylamino)cyclohexyl]methoxy]-N-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-amine
CID 165385604
N-[4-[[5-fluoro-2-[[1-(2-fluoroethyl)pyrazol-4-yl]amino]pyrimidin-4-yl]oxymethyl]cyclohexyl]acetamide
CID 165385639
(3aR,6aS)-5-[5-fluoro-2-[(1-methylpyrazol-4-yl)amino]pyrimidin-4-yl]-3a,6a-dimethyl-1,3,4,6-tetrahydropyrrolo[3,4-c]pyrrole-2-carbaldehyde
CID 175697307
4-butan-2-yloxy-5-fluoro-N-methylpyrimidin-2-amine
CID 80866074
2-fluoro-4-N-[5-methyl-4-(1-propan-2-ylpyrazol-4-yl)pyrimidin-2-yl]benzene-1,4-diamine
CID 165158084
4-[[2-[[(2S)-butan-2-yl]amino]-8-(4-hydroxycyclohexyl)pyrido[4,3-d]pyrimidin-5-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol
CID 137420346

Frequently Asked Questions

What is the IUPAC name of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol?
The IUPAC name of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol (CID 165385704) is 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol.
What is the SMILES notation for 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol?
The canonical SMILES for 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol is CC(C)n1cc(Nc2ncc(F)c(OCC34CCC(O)(CC3)CC4)n2)cn1.
What is the InChIKey of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol?
The InChIKey is XTFXLUKCAJBRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26FN5O2/c1-13(2)25-11-14(9-22-25)23-17-21-10-15(20)16(24-17)27-12-18-3-6-19(26,7-4-18)8-5-18/h9-11,13,26H,3-8,12H2,1-2H3,(H,21,23,24).
What are the key properties of 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol?
4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol has a molecular weight of 375.45 g/mol, XLogP of 3.60, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-fluoro-2-[(1-propan-2-ylpyrazol-4-yl)amino]pyrimidin-4-yl]oxymethyl]bicyclo[2.2.2]octan-1-ol is sourced from PubChem (CID 165385704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).