9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine

C17H18FN7 — CID 172882518

IUPAC9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
SMILESFc1cc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)ccn1
InChIInChI=1S/C17H18FN7/c18-14-9-13(3-4-19-14)23-5-7-24(8-6-23)16-15-17(21-10-20-16)25(11-22-15)12-1-2-12/h3-4,9-12H,1-2,5-8H2
InChIKeyVHEORDFPWCZAFI-UHFFFAOYSA-N
MW339.38 g/mol
LogP2.02
Rot. Bonds3

About 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine

9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine (PubChem CID 172882518) has the molecular formula C17H18FN7 and a molecular weight of 339.38 g/mol. Its IUPAC name is 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine.

Molecular Properties

Compound Name9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
PubChem CID172882518
Molecular FormulaC17H18FN7
Molecular Weight339.38 g/mol
Exact Mass339.16
IUPAC Name9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine
SMILESFc1cc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)ccn1
InChIInChI=1S/C17H18FN7/c18-14-9-13(3-4-19-14)23-5-7-24(8-6-23)16-15-17(21-10-20-16)25(11-22-15)12-1-2-12/h3-4,9-12H,1-2,5-8H2
InChIKeyVHEORDFPWCZAFI-UHFFFAOYSA-N
XLogP2.02
TPSA62.97 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.38
LogP ≤ 52.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Related Compounds

9-cyclopropyl-6-(4-pyrimidin-2-ylpiperazin-1-yl)purine
CID 154829192
5-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-2-carbonitrile
CID 155980616
4-[4-[9-[4-(hydroxymethyl)cyclohexyl]purin-6-yl]piperazin-1-yl]phenol
CID 167818272
6-[4-(5-bromopyrimidin-2-yl)piperazin-1-yl]-9-cyclopropylpurine
CID 155980660
6-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]pyridine-3-carbonitrile
CID 155980578
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-4-(trifluoromethyl)-1,3-thiazole
CID 155980603
7-bromo-3-cyclopropylimidazo[4,5-b]pyridine
CID 84700561
9-cyclopropyl-6-[4-[2-(triazol-1-yl)ethyl]piperazin-1-yl]purine
CID 163344644
9-cyclopropyl-6-(3-methylpiperidin-1-yl)purine
CID 163354022
(2R)-1-(9-cyclopropylpurin-6-yl)pyrrolidine-2-carboxylic acid
CID 122051660
5-[[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]methyl]-2,4-dimethyl-1,3-thiazole
CID 163344591
2-[4-(9-cyclopropylpurin-6-yl)piperazin-1-yl]-N-(5-methyl-1,2-oxazol-3-yl)acetamide
CID 136544627

Frequently Asked Questions

What is the IUPAC name of 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine?
The IUPAC name of 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine (CID 172882518) is 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine.
What is the SMILES notation for 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine?
The canonical SMILES for 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine is Fc1cc(N2CCN(c3ncnc4c3ncn4C3CC3)CC2)ccn1.
What is the InChIKey of 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine?
The InChIKey is VHEORDFPWCZAFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18FN7/c18-14-9-13(3-4-19-14)23-5-7-24(8-6-23)16-15-17(21-10-20-16)25(11-22-15)12-1-2-12/h3-4,9-12H,1-2,5-8H2.
What are the key properties of 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine?
9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine has a molecular weight of 339.38 g/mol, XLogP of 2.02, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 9-cyclopropyl-6-[4-(2-fluoro-4-pyridinyl)piperazin-1-yl]purine is sourced from PubChem (CID 172882518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).