2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol

C31H36N6O2 — CID 158297807

IUPAC2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2ccnc(Cc3ccc(C4CCN(C5COC5)CC4)cc3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C31H36N6O2/c1-31(2,38)21-37-18-27(30(35-37)25-4-3-12-32-17-25)28-9-13-33-29(34-28)16-22-5-7-23(8-6-22)24-10-14-36(15-11-24)26-19-39-20-26/h3-9,12-13,17-18,24,26,38H,10-11,14-16,19-21H2,1-2H3
InChIKeyGMCXMAHSILVWPJ-UHFFFAOYSA-N
MW524.67 g/mol
LogP4.34
Rot. Bonds8

About 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol

2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol (PubChem CID 158297807) has the molecular formula C31H36N6O2 and a molecular weight of 524.67 g/mol. Its IUPAC name is 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol.

Molecular Properties

Compound Name2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol
PubChem CID158297807
Molecular FormulaC31H36N6O2
Molecular Weight524.67 g/mol
Exact Mass524.29
IUPAC Name2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol
SMILESCC(C)(O)Cn1cc(-c2ccnc(Cc3ccc(C4CCN(C5COC5)CC4)cc3)n2)c(-c2cccnc2)n1
InChIInChI=1S/C31H36N6O2/c1-31(2,38)21-37-18-27(30(35-37)25-4-3-12-32-17-25)28-9-13-33-29(34-28)16-22-5-7-23(8-6-22)24-10-14-36(15-11-24)26-19-39-20-26/h3-9,12-13,17-18,24,26,38H,10-11,14-16,19-21H2,1-2H3
InChIKeyGMCXMAHSILVWPJ-UHFFFAOYSA-N
XLogP4.34
TPSA89.19 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms39
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500524.67
LogP ≤ 54.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol?
The IUPAC name of 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol (CID 158297807) is 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol.
What is the SMILES notation for 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol?
The canonical SMILES for 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol is CC(C)(O)Cn1cc(-c2ccnc(Cc3ccc(C4CCN(C5COC5)CC4)cc3)n2)c(-c2cccnc2)n1.
What is the InChIKey of 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol?
The InChIKey is GMCXMAHSILVWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H36N6O2/c1-31(2,38)21-37-18-27(30(35-37)25-4-3-12-32-17-25)28-9-13-33-29(34-28)16-22-5-7-23(8-6-22)24-10-14-36(15-11-24)26-19-39-20-26/h3-9,12-13,17-18,24,26,38H,10-11,14-16,19-21H2,1-2H3.
What are the key properties of 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol?
2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol has a molecular weight of 524.67 g/mol, XLogP of 4.34, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-[4-[2-[[4-[1-(oxetan-3-yl)piperidin-4-yl]phenyl]methyl]pyrimidin-4-yl]-3-pyridin-3-ylpyrazol-1-yl]propan-2-ol is sourced from PubChem (CID 158297807), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).