4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol

C25H24FN7O2 — CID 155102900

IUPAC4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol
SMILESOCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCC(O)(c4ccc(F)cc4)CC3)nc21
InChIInChI=1S/C25H24FN7O2/c26-19-7-5-18(6-8-19)25(35)9-11-31(12-10-25)24-29-22-21(27-16-32(22)13-14-34)23(30-24)33-20-4-2-1-3-17(20)15-28-33/h1-8,15-16,34-35H,9-14H2
InChIKeyPFSCZUWOPZGFNO-UHFFFAOYSA-N
MW473.51 g/mol
LogP2.78
Rot. Bonds5

About 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol

4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol (PubChem CID 155102900) has the molecular formula C25H24FN7O2 and a molecular weight of 473.51 g/mol. Its IUPAC name is 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol.

Molecular Properties

Compound Name4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol
PubChem CID155102900
Molecular FormulaC25H24FN7O2
Molecular Weight473.51 g/mol
Exact Mass473.20
IUPAC Name4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol
SMILESOCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCC(O)(c4ccc(F)cc4)CC3)nc21
InChIInChI=1S/C25H24FN7O2/c26-19-7-5-18(6-8-19)25(35)9-11-31(12-10-25)24-29-22-21(27-16-32(22)13-14-34)23(30-24)33-20-4-2-1-3-17(20)15-28-33/h1-8,15-16,34-35H,9-14H2
InChIKeyPFSCZUWOPZGFNO-UHFFFAOYSA-N
XLogP2.78
TPSA105.12 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.51
LogP ≤ 52.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol?
The IUPAC name of 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol (CID 155102900) is 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol.
What is the SMILES notation for 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol?
The canonical SMILES for 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol is OCCn1cnc2c(-n3ncc4ccccc43)nc(N3CCC(O)(c4ccc(F)cc4)CC3)nc21.
What is the InChIKey of 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol?
The InChIKey is PFSCZUWOPZGFNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24FN7O2/c26-19-7-5-18(6-8-19)25(35)9-11-31(12-10-25)24-29-22-21(27-16-32(22)13-14-34)23(30-24)33-20-4-2-1-3-17(20)15-28-33/h1-8,15-16,34-35H,9-14H2.
What are the key properties of 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol?
4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol has a molecular weight of 473.51 g/mol, XLogP of 2.78, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-fluorophenyl)-1-[9-(2-hydroxyethyl)-6-indazol-1-ylpurin-2-yl]piperidin-4-ol is sourced from PubChem (CID 155102900), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).