3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol

C20H23N5O2 — CID 139384078

IUPAC3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol
SMILESCn1cc(CN2CCC(Oc3cc(O)ccc3-c3ccncn3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24-12-15(11-23-24)13-25-8-5-17(6-9-25)27-20-10-16(26)2-3-18(20)19-4-7-21-14-22-19/h2-4,7,10-12,14,17,26H,5-6,8-9,13H2,1H3
InChIKeyLUHLEOLVIQTLNE-UHFFFAOYSA-N
MW365.44 g/mol
LogP2.63
Rot. Bonds5

About 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol

3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol (PubChem CID 139384078) has the molecular formula C20H23N5O2 and a molecular weight of 365.44 g/mol. Its IUPAC name is 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol.

Molecular Properties

Compound Name3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol
PubChem CID139384078
Molecular FormulaC20H23N5O2
Molecular Weight365.44 g/mol
Exact Mass365.19
IUPAC Name3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol
SMILESCn1cc(CN2CCC(Oc3cc(O)ccc3-c3ccncn3)CC2)cn1
InChIInChI=1S/C20H23N5O2/c1-24-12-15(11-23-24)13-25-8-5-17(6-9-25)27-20-10-16(26)2-3-18(20)19-4-7-21-14-22-19/h2-4,7,10-12,14,17,26H,5-6,8-9,13H2,1H3
InChIKeyLUHLEOLVIQTLNE-UHFFFAOYSA-N
XLogP2.63
TPSA76.30 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.44
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol with MolForge

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Related Compounds

2-[4-(4-fluoro-2-pyrimidin-4-ylphenoxy)piperidin-1-yl]-N-methylacetamide
CID 139383917
(2R,3aS,7aR)-6-[(1-methylpyrazol-4-yl)methyl]-2-pyrimidin-4-yl-3,3a,4,5,7,7a-hexahydro-2H-furo[2,3-c]pyridine
CID 134690539
4-[1-[(1-methylpyrazol-4-yl)methyl]azetidin-3-yl]oxypyridine
CID 154830506
4-bromo-1-[(1-methylpyrazol-4-yl)methyl]piperidine
CID 80680049
4-[2-(1-cyclopropylsulfonylpyrrolidin-3-yl)oxy-4-fluorophenyl]pyrimidine
CID 118676072
N'-hydroxy-1-[(1-methylpyrazol-4-yl)methyl]piperidine-4-carboximidamide
CID 77038911
4-[(1-methylpyrazol-4-yl)methyl]-7-[(4-pyridin-3-yloxypiperidin-1-yl)methyl]-3,5-dihydro-2H-1,4-benzoxazepine
CID 126467091
4-[1-(pyrimidin-4-ylmethyl)piperidin-4-yl]oxy-1H-indole
CID 126951608
3-[(4-isoquinolin-6-yloxypiperidin-1-yl)methyl]phenol
CID 143380555
3-methyl-2-[1-[4-(piperazin-1-ylmethyl)phenyl]piperidin-4-yl]oxy-6-pyrimidin-4-ylpyrimidin-4-one
CID 50939812
4-(1-methylpyrazol-4-yl)pyrimidine
CID 3477787
1-[(1-methylpyrazol-4-yl)methyl]-4-(1H-pyrazol-5-yl)piperidine
CID 95817555

Frequently Asked Questions

What is the IUPAC name of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol?
The IUPAC name of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol (CID 139384078) is 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol.
What is the SMILES notation for 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol?
The canonical SMILES for 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol is Cn1cc(CN2CCC(Oc3cc(O)ccc3-c3ccncn3)CC2)cn1.
What is the InChIKey of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol?
The InChIKey is LUHLEOLVIQTLNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N5O2/c1-24-12-15(11-23-24)13-25-8-5-17(6-9-25)27-20-10-16(26)2-3-18(20)19-4-7-21-14-22-19/h2-4,7,10-12,14,17,26H,5-6,8-9,13H2,1H3.
What are the key properties of 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol?
3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol has a molecular weight of 365.44 g/mol, XLogP of 2.63, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[(1-methylpyrazol-4-yl)methyl]piperidin-4-yl]oxy-4-pyrimidin-4-ylphenol is sourced from PubChem (CID 139384078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).