2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol

C26H30N8O2 — CID 164614963

IUPAC2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
SMILESCc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n(C(c3cn[nH]n3)C3CCOCC3)c2c1
InChIInChI=1S/C26H30N8O2/c1-15-24(33(4)32-29-15)17-11-22-23(27-13-17)19-6-5-18(26(2,3)35)12-21(19)34(22)25(20-14-28-31-30-20)16-7-9-36-10-8-16/h5-6,11-14,16,25,35H,7-10H2,1-4H3,(H,28,30,31)
InChIKeyDAWKFYLOFDGEFK-UHFFFAOYSA-N
MW486.58 g/mol
LogP3.65
Rot. Bonds5

About 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol

2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol (PubChem CID 164614963) has the molecular formula C26H30N8O2 and a molecular weight of 486.58 g/mol. Its IUPAC name is 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol.

Molecular Properties

Compound Name2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
PubChem CID164614963
Molecular FormulaC26H30N8O2
Molecular Weight486.58 g/mol
Exact Mass486.25
IUPAC Name2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol
SMILESCc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n(C(c3cn[nH]n3)C3CCOCC3)c2c1
InChIInChI=1S/C26H30N8O2/c1-15-24(33(4)32-29-15)17-11-22-23(27-13-17)19-6-5-18(26(2,3)35)12-21(19)34(22)25(20-14-28-31-30-20)16-7-9-36-10-8-16/h5-6,11-14,16,25,35H,7-10H2,1-4H3,(H,28,30,31)
InChIKeyDAWKFYLOFDGEFK-UHFFFAOYSA-N
XLogP3.65
TPSA119.56 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.58
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-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 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
The IUPAC name of 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol (CID 164614963) is 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol.
What is the SMILES notation for 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
The canonical SMILES for 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol is Cc1nnn(C)c1-c1cnc2c3ccc(C(C)(C)O)cc3n(C(c3cn[nH]n3)C3CCOCC3)c2c1.
What is the InChIKey of 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
The InChIKey is DAWKFYLOFDGEFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H30N8O2/c1-15-24(33(4)32-29-15)17-11-22-23(27-13-17)19-6-5-18(26(2,3)35)12-21(19)34(22)25(20-14-28-31-30-20)16-7-9-36-10-8-16/h5-6,11-14,16,25,35H,7-10H2,1-4H3,(H,28,30,31).
What are the key properties of 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol?
2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol has a molecular weight of 486.58 g/mol, XLogP of 3.65, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(3,5-dimethyltriazol-4-yl)-5-[oxan-4-yl(2H-triazol-4-yl)methyl]pyrido[3,2-b]indol-7-yl]propan-2-ol is sourced from PubChem (CID 164614963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).