2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol

C29H30FN5O2 — CID 134485969

IUPAC2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
SMILESCc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2C(CC1COC1)c1ccccc1
InChIInChI=1S/C29H30FN5O2/c1-17-28(34(4)33-32-17)21-13-25-22(12-23(21)30)27-26(11-20(14-31-27)29(2,3)36)35(25)24(10-18-15-37-16-18)19-8-6-5-7-9-19/h5-9,11-14,18,24,36H,10,15-16H2,1-4H3
InChIKeyPNGPRIBMNMMCHN-UHFFFAOYSA-N
MW499.59 g/mol
LogP5.29
Rot. Bonds6

About 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol

2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol (PubChem CID 134485969) has the molecular formula C29H30FN5O2 and a molecular weight of 499.59 g/mol. Its IUPAC name is 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol.

Molecular Properties

Compound Name2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
PubChem CID134485969
Molecular FormulaC29H30FN5O2
Molecular Weight499.59 g/mol
Exact Mass499.24
IUPAC Name2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol
SMILESCc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2C(CC1COC1)c1ccccc1
InChIInChI=1S/C29H30FN5O2/c1-17-28(34(4)33-32-17)21-13-25-22(12-23(21)30)27-26(11-20(14-31-27)29(2,3)36)35(25)24(10-18-15-37-16-18)19-8-6-5-7-9-19/h5-9,11-14,18,24,36H,10,15-16H2,1-4H3
InChIKeyPNGPRIBMNMMCHN-UHFFFAOYSA-N
XLogP5.29
TPSA77.99 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500499.59
LogP ≤ 55.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]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-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The IUPAC name of 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol (CID 134485969) is 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]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-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The canonical SMILES for 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol is Cc1nnn(C)c1-c1cc2c(cc1F)c1ncc(C(C)(C)O)cc1n2C(CC1COC1)c1ccccc1.
What is the InChIKey of 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
The InChIKey is PNGPRIBMNMMCHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H30FN5O2/c1-17-28(34(4)33-32-17)21-13-25-22(12-23(21)30)27-26(11-20(14-31-27)29(2,3)36)35(25)24(10-18-15-37-16-18)19-8-6-5-7-9-19/h5-9,11-14,18,24,36H,10,15-16H2,1-4H3.
What are the key properties of 2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol?
2-[7-(3,5-dimethyltriazol-4-yl)-8-fluoro-5-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol has a molecular weight of 499.59 g/mol, XLogP of 5.29, 6 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-[2-(oxetan-3-yl)-1-phenylethyl]pyrido[3,2-b]indol-3-yl]propan-2-ol is sourced from PubChem (CID 134485969), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).