3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol

C21H23FN4O — CID 118173507

IUPAC3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(Cc3cnn(Cc4ccc(F)cn4)c3)CC2)c1
InChIInChI=1S/C21H23FN4O/c22-19-4-5-20(23-12-19)15-26-14-16(11-24-26)13-25-8-6-17(7-9-25)18-2-1-3-21(27)10-18/h1-5,10-12,14,17,27H,6-9,13,15H2
InChIKeyUOQNUZKMFSAOMT-UHFFFAOYSA-N
MW366.44 g/mol
LogP3.55
Rot. Bonds5

About 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol

3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol (PubChem CID 118173507) has the molecular formula C21H23FN4O and a molecular weight of 366.44 g/mol. Its IUPAC name is 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol.

Molecular Properties

Compound Name3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol
PubChem CID118173507
Molecular FormulaC21H23FN4O
Molecular Weight366.44 g/mol
Exact Mass366.19
IUPAC Name3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol
SMILESOc1cccc(C2CCN(Cc3cnn(Cc4ccc(F)cn4)c3)CC2)c1
InChIInChI=1S/C21H23FN4O/c22-19-4-5-20(23-12-19)15-26-14-16(11-24-26)13-25-8-6-17(7-9-25)18-2-1-3-21(27)10-18/h1-5,10-12,14,17,27H,6-9,13,15H2
InChIKeyUOQNUZKMFSAOMT-UHFFFAOYSA-N
XLogP3.55
TPSA54.18 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.44
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol with MolForge

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Related Compounds

4-[2-(6-Methyl-pyridin-2-yl)-5,6-dihydro-4H-pyrrolo[1,2-b]pyrazol-3-yl]-phenol
CID 9838979
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-1-ol
CID 11601866
6-(1-Methyl-3-(pyridin-4-yl)-1h-pyrazol-4-yl)naphthalen-2-ol
CID 11659444
[3-(3-Hydroxy-5-methylphenyl)-4-(2-(pyridin-3-yl)pyridin-4-yl)-pyrazol-1-yl]acetonitrile
CID 44626349
2-[4-[2-[4-(Dimethylamino)phenyl]-4-pyridinyl]-3-(3-hydroxy-5-methylphenyl)pyrazol-1-yl]acetonitrile
CID 45483027
4-(3-(6-methylpyridin-2-yl)-1H-pyrazol-4-yl)phenol
CID 135470346
3-(4-Phenyl-6-pyridin-4-yl-2-pyridinyl)phenol
CID 46861757
3-(2-Phenyl-6-pyridin-4-yl-4-pyridinyl)phenol
CID 46887284
2-[4-(Pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 24824065
4-[4-(Pyrazolo[1,5-a]pyridin-3-ylmethyl)piperazin-1-yl]phenol
CID 24824066
[4-[3-(4-Fluorophenyl)-1-methylpyrazol-4-yl]-2-pyridinyl]methanol
CID 73293373
4-[(4S)-2-(6-ethyl-2-pyridinyl)-4,5,5-trimethyl-4,6-dihydropyrrolo[1,2-b]pyrazol-3-yl]phenol
CID 145980003

Frequently Asked Questions

What is the IUPAC name of 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol?
The IUPAC name of 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol (CID 118173507) is 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol.
What is the SMILES notation for 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol?
The canonical SMILES for 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol is Oc1cccc(C2CCN(Cc3cnn(Cc4ccc(F)cn4)c3)CC2)c1.
What is the InChIKey of 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol?
The InChIKey is UOQNUZKMFSAOMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23FN4O/c22-19-4-5-20(23-12-19)15-26-14-16(11-24-26)13-25-8-6-17(7-9-25)18-2-1-3-21(27)10-18/h1-5,10-12,14,17,27H,6-9,13,15H2.
What are the key properties of 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol?
3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol has a molecular weight of 366.44 g/mol, XLogP of 3.55, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-[[1-[(5-fluoro-2-pyridinyl)methyl]pyrazol-4-yl]methyl]piperidin-4-yl]phenol is sourced from PubChem (CID 118173507), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).