6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine

C19H18FN7 — CID 56757235

IUPAC6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine
SMILESFc1ccc(-c2cn[nH]c2C2CCCN(c3ncnc4nc[nH]c34)C2)cc1
InChIInChI=1S/C19H18FN7/c20-14-5-3-12(4-6-14)15-8-25-26-16(15)13-2-1-7-27(9-13)19-17-18(22-10-21-17)23-11-24-19/h3-6,8,10-11,13H,1-2,7,9H2,(H,25,26)(H,21,22,23,24)
InChIKeyHBOXNVMPSNMHAD-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.27
Rot. Bonds3

About 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine

6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine (PubChem CID 56757235) has the molecular formula C19H18FN7 and a molecular weight of 363.40 g/mol. Its IUPAC name is 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine.

Molecular Properties

Compound Name6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine
PubChem CID56757235
Molecular FormulaC19H18FN7
Molecular Weight363.40 g/mol
Exact Mass363.16
IUPAC Name6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine
SMILESFc1ccc(-c2cn[nH]c2C2CCCN(c3ncnc4nc[nH]c34)C2)cc1
InChIInChI=1S/C19H18FN7/c20-14-5-3-12(4-6-14)15-8-25-26-16(15)13-2-1-7-27(9-13)19-17-18(22-10-21-17)23-11-24-19/h3-6,8,10-11,13H,1-2,7,9H2,(H,25,26)(H,21,22,23,24)
InChIKeyHBOXNVMPSNMHAD-UHFFFAOYSA-N
XLogP3.27
TPSA86.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.27
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

6-[(3R)-3-(trifluoromethyl)piperidin-1-yl]-7H-purine
CID 94022802
N-methyl-1-(7H-purin-6-yl)piperidin-3-amine
CID 62545839
2-amino-4-[(3S)-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-1H-pyrimidin-6-one
CID 136821252
1-[(2,4-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 45216943
(3S)-1-[(2,6-difluorophenyl)methyl]-3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidine
CID 26401706
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyrazin-2-ylmethanone
CID 110268757
[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-pyridin-2-ylmethanone
CID 70775154
2-[(3S)-3-[4-(4-methylphenyl)-1H-pyrazol-5-yl]piperidin-1-yl]pyridine-3-carboxylic acid
CID 95223986
2-(4-methyl-1H-pyrazol-5-yl)-4-(7H-purin-6-yl)morpholine
CID 155987222
(3R)-N-(3-fluorophenyl)-1-(7H-purin-6-yl)piperidine-3-carboxamide
CID 40921094
3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]-1-(thiophen-2-ylmethyl)piperidine
CID 45237286
6-[3-(3,5-dimethyl-1,2,4-triazol-1-yl)piperidin-1-yl]-7H-purine
CID 167781309

Frequently Asked Questions

What is the IUPAC name of 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine?
The IUPAC name of 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine (CID 56757235) is 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine.
What is the SMILES notation for 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine?
The canonical SMILES for 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine is Fc1ccc(-c2cn[nH]c2C2CCCN(c3ncnc4nc[nH]c34)C2)cc1.
What is the InChIKey of 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine?
The InChIKey is HBOXNVMPSNMHAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN7/c20-14-5-3-12(4-6-14)15-8-25-26-16(15)13-2-1-7-27(9-13)19-17-18(22-10-21-17)23-11-24-19/h3-6,8,10-11,13H,1-2,7,9H2,(H,25,26)(H,21,22,23,24).
What are the key properties of 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine?
6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine has a molecular weight of 363.40 g/mol, XLogP of 3.27, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-[4-(4-fluorophenyl)-1H-pyrazol-5-yl]piperidin-1-yl]-7H-purine is sourced from PubChem (CID 56757235), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).