4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

C25H36N4O2 — CID 161077031

IUPAC4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESOC1CCC(c2cnc(OC3CCNCC3)c3cnc(CC4CCCCC4)nc23)CC1
InChIInChI=1S/C25H36N4O2/c30-19-8-6-18(7-9-19)21-15-28-25(31-20-10-12-26-13-11-20)22-16-27-23(29-24(21)22)14-17-4-2-1-3-5-17/h15-20,26,30H,1-14H2
InChIKeyUFKJOFUBVFGESM-UHFFFAOYSA-N
MW424.59 g/mol
LogP4.30
Rot. Bonds5

About 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol

4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (PubChem CID 161077031) has the molecular formula C25H36N4O2 and a molecular weight of 424.59 g/mol. Its IUPAC name is 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.

Molecular Properties

Compound Name4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
PubChem CID161077031
Molecular FormulaC25H36N4O2
Molecular Weight424.59 g/mol
Exact Mass424.28
IUPAC Name4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol
SMILESOC1CCC(c2cnc(OC3CCNCC3)c3cnc(CC4CCCCC4)nc23)CC1
InChIInChI=1S/C25H36N4O2/c30-19-8-6-18(7-9-19)21-15-28-25(31-20-10-12-26-13-11-20)22-16-27-23(29-24(21)22)14-17-4-2-1-3-5-17/h15-20,26,30H,1-14H2
InChIKeyUFKJOFUBVFGESM-UHFFFAOYSA-N
XLogP4.30
TPSA80.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.59
LogP ≤ 54.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The IUPAC name of 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol (CID 161077031) is 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol.
What is the SMILES notation for 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The canonical SMILES for 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is OC1CCC(c2cnc(OC3CCNCC3)c3cnc(CC4CCCCC4)nc23)CC1.
What is the InChIKey of 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
The InChIKey is UFKJOFUBVFGESM-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H36N4O2/c30-19-8-6-18(7-9-19)21-15-28-25(31-20-10-12-26-13-11-20)22-16-27-23(29-24(21)22)14-17-4-2-1-3-5-17/h15-20,26,30H,1-14H2.
What are the key properties of 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol?
4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol has a molecular weight of 424.59 g/mol, XLogP of 4.30, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(cyclohexylmethyl)-5-piperidin-4-yloxypyrido[4,3-d]pyrimidin-8-yl]cyclohexan-1-ol is sourced from PubChem (CID 161077031), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).