4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C24H28FN3O2 — CID 157498814

IUPAC4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCCCCc1ncc2c(Oc3ccc(F)cc3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C24H28FN3O2/c1-2-3-4-5-22-26-15-21-23(28-22)20(16-6-10-18(29)11-7-16)14-27-24(21)30-19-12-8-17(25)9-13-19/h8-9,12-16,18,29H,2-7,10-11H2,1H3
InChIKeyBYDUDHFWWHYRRI-UHFFFAOYSA-N
MW409.51 g/mol
LogP5.71
Rot. Bonds7

About 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 157498814) has the molecular formula C24H28FN3O2 and a molecular weight of 409.51 g/mol. Its IUPAC name is 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID157498814
Molecular FormulaC24H28FN3O2
Molecular Weight409.51 g/mol
Exact Mass409.22
IUPAC Name4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESCCCCCc1ncc2c(Oc3ccc(F)cc3)ncc(C3CCC(O)CC3)c2n1
InChIInChI=1S/C24H28FN3O2/c1-2-3-4-5-22-26-15-21-23(28-22)20(16-6-10-18(29)11-7-16)14-27-24(21)30-19-12-8-17(25)9-13-19/h8-9,12-16,18,29H,2-7,10-11H2,1H3
InChIKeyBYDUDHFWWHYRRI-UHFFFAOYSA-N
XLogP5.71
TPSA68.13 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.51
LogP ≤ 55.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 157498814) is 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is CCCCCc1ncc2c(Oc3ccc(F)cc3)ncc(C3CCC(O)CC3)c2n1.
What is the InChIKey of 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is BYDUDHFWWHYRRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28FN3O2/c1-2-3-4-5-22-26-15-21-23(28-22)20(16-6-10-18(29)11-7-16)14-27-24(21)30-19-12-8-17(25)9-13-19/h8-9,12-16,18,29H,2-7,10-11H2,1H3.
What are the key properties of 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 409.51 g/mol, XLogP of 5.71, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-fluorophenoxy)-2-pentylpyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 157498814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).