2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine

C18H17FN6 — CID 150462556

IUPAC2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine
SMILESCC(C)n1c(-n2cccn2)nc2cnc(Cc3ccc(F)cc3)nc21
InChIInChI=1S/C18H17FN6/c1-12(2)25-17-15(22-18(25)24-9-3-8-21-24)11-20-16(23-17)10-13-4-6-14(19)7-5-13/h3-9,11-12H,10H2,1-2H3
InChIKeyHQBZQLIFJBMCDD-UHFFFAOYSA-N
MW336.37 g/mol
LogP3.32
Rot. Bonds4

About 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine

2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine (PubChem CID 150462556) has the molecular formula C18H17FN6 and a molecular weight of 336.37 g/mol. Its IUPAC name is 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine.

Molecular Properties

Compound Name2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine
PubChem CID150462556
Molecular FormulaC18H17FN6
Molecular Weight336.37 g/mol
Exact Mass336.15
IUPAC Name2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine
SMILESCC(C)n1c(-n2cccn2)nc2cnc(Cc3ccc(F)cc3)nc21
InChIInChI=1S/C18H17FN6/c1-12(2)25-17-15(22-18(25)24-9-3-8-21-24)11-20-16(23-17)10-13-4-6-14(19)7-5-13/h3-9,11-12H,10H2,1-2H3
InChIKeyHQBZQLIFJBMCDD-UHFFFAOYSA-N
XLogP3.32
TPSA61.42 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.37
LogP ≤ 53.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

9-(2-methylpropyl)-8-pyrazol-1-yl-2-(pyridin-3-ylmethyl)purine
CID 150054628
2-[(4-fluorophenyl)methyl]-4-propan-2-ylpyrimidin-5-amine
CID 114207196
2-benzyl-9-ethyl-8-[4-(trifluoromethyl)pyrazol-1-yl]purine
CID 151903382
4-fluoro-2-[(4-fluorophenyl)methyl]pyrimidine
CID 164652124
1-[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]propan-2-amine
CID 62757363
3-ethyl-2-[(4-fluorophenyl)methyl]imidazo[4,5-b]pyridine
CID 117165475
1-(5-pyrazol-1-yl-2-pyridinyl)ethanol
CID 83132104
(1R)-1-(5-fluoro-3-pyridinyl)-N-[2-(4-pyrazol-1-ylphenyl)ethyl]ethanamine
CID 97229705
1-propan-2-yl-2-pyrazol-1-ylimidazole
CID 58415669
[2-[(4-fluorophenyl)methyl]pyrimidin-5-yl]methanol
CID 62757349
N-[(4-fluorophenyl)methyl]-6-pyrazol-1-ylpyridin-3-amine
CID 43704289
N-[(4-fluorophenyl)methyl]-1-pyrazol-1-ylpropan-2-amine
CID 43435020

Frequently Asked Questions

What is the IUPAC name of 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine?
The IUPAC name of 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine (CID 150462556) is 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine.
What is the SMILES notation for 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine?
The canonical SMILES for 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine is CC(C)n1c(-n2cccn2)nc2cnc(Cc3ccc(F)cc3)nc21.
What is the InChIKey of 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine?
The InChIKey is HQBZQLIFJBMCDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17FN6/c1-12(2)25-17-15(22-18(25)24-9-3-8-21-24)11-20-16(23-17)10-13-4-6-14(19)7-5-13/h3-9,11-12H,10H2,1-2H3.
What are the key properties of 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine?
2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine has a molecular weight of 336.37 g/mol, XLogP of 3.32, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-fluorophenyl)methyl]-9-propan-2-yl-8-pyrazol-1-ylpurine is sourced from PubChem (CID 150462556), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).