2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol

C28H28FN5O2 — CID 155802725

IUPAC2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
SMILESCc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@@H](c1ccccc1)C1COC1
InChIInChI=1S/C28H28FN5O2/c1-16-26(33(4)32-31-16)20-12-23-21(11-22(20)29)25-24(10-19(13-30-25)28(2,3)35)34(23)27(18-14-36-15-18)17-8-6-5-7-9-17/h5-13,18,27,35H,14-15H2,1-4H3/t27-/m0/s1
InChIKeyWQMCUAPZBSOVCO-MHZLTWQESA-N
MW485.56 g/mol
LogP4.90
Rot. Bonds5

About 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol

2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol (PubChem CID 155802725) has the molecular formula C28H28FN5O2 and a molecular weight of 485.56 g/mol. Its IUPAC name is 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
PubChem CID155802725
Molecular FormulaC28H28FN5O2
Molecular Weight485.56 g/mol
Exact Mass485.22
IUPAC Name2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
SMILESCc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@@H](c1ccccc1)C1COC1
InChIInChI=1S/C28H28FN5O2/c1-16-26(33(4)32-31-16)20-12-23-21(11-22(20)29)25-24(10-19(13-30-25)28(2,3)35)34(23)27(18-14-36-15-18)17-8-6-5-7-9-17/h5-13,18,27,35H,14-15H2,1-4H3/t27-/m0/s1
InChIKeyWQMCUAPZBSOVCO-MHZLTWQESA-N
XLogP4.90
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500485.56
LogP ≤ 54.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-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-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The IUPAC name of 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol (CID 155802725) is 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol.
What is the SMILES notation for 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol is Cc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2[C@@H](c1ccccc1)C1COC1.
What is the InChIKey of 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The InChIKey is WQMCUAPZBSOVCO-MHZLTWQESA-N. The full InChI is InChI=1S/C28H28FN5O2/c1-16-26(33(4)32-31-16)20-12-23-21(11-22(20)29)25-24(10-19(13-30-25)28(2,3)35)34(23)27(18-14-36-15-18)17-8-6-5-7-9-17/h5-13,18,27,35H,14-15H2,1-4H3/t27-/m0/s1.
What are the key properties of 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol has a molecular weight of 485.56 g/mol, XLogP of 4.90, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[(R)-oxetan-3-yl(phenyl)methyl]pyrido[3,2-b]indol-3-yl]propan-2-ol is sourced from PubChem (CID 155802725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).