4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol

C26H31N5O3 — CID 165113562

IUPAC4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1
InChIInChI=1S/C26H31N5O3/c1-26(2,32)8-7-19-15-22-23(28-17-19)16-24(30-11-13-33-14-12-30)29-25(22)34-21-5-3-20(4-6-21)31-10-9-27-18-31/h9-10,15-18,20-21,32H,3-6,11-14H2,1-2H3
InChIKeyCTCYFNKITFRYJS-UHFFFAOYSA-N
MW461.57 g/mol
LogP3.35
Rot. Bonds4

About 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol

4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol (PubChem CID 165113562) has the molecular formula C26H31N5O3 and a molecular weight of 461.57 g/mol. Its IUPAC name is 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol.

Molecular Properties

Compound Name4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol
PubChem CID165113562
Molecular FormulaC26H31N5O3
Molecular Weight461.57 g/mol
Exact Mass461.24
IUPAC Name4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol
SMILESCC(C)(O)C#Cc1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1
InChIInChI=1S/C26H31N5O3/c1-26(2,32)8-7-19-15-22-23(28-17-19)16-24(30-11-13-33-14-12-30)29-25(22)34-21-5-3-20(4-6-21)31-10-9-27-18-31/h9-10,15-18,20-21,32H,3-6,11-14H2,1-2H3
InChIKeyCTCYFNKITFRYJS-UHFFFAOYSA-N
XLogP3.35
TPSA85.53 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.57
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

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

Analyze 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-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-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol?
The IUPAC name of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol (CID 165113562) is 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol.
What is the SMILES notation for 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol?
The canonical SMILES for 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol is CC(C)(O)C#Cc1cnc2cc(N3CCOCC3)nc(OC3CCC(n4ccnc4)CC3)c2c1.
What is the InChIKey of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol?
The InChIKey is CTCYFNKITFRYJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H31N5O3/c1-26(2,32)8-7-19-15-22-23(28-17-19)16-24(30-11-13-33-14-12-30)29-25(22)34-21-5-3-20(4-6-21)31-10-9-27-18-31/h9-10,15-18,20-21,32H,3-6,11-14H2,1-2H3.
What are the key properties of 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol?
4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol has a molecular weight of 461.57 g/mol, XLogP of 3.35, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(4-imidazol-1-ylcyclohexyl)oxy-7-morpholin-4-yl-1,6-naphthyridin-3-yl]-2-methylbut-3-yn-2-ol is sourced from PubChem (CID 165113562), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).