3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

C29H27ClF2N4O2S — CID 162744857

IUPAC3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(Cc3cc4nccc(-c5cc(Cl)cc6c(F)cn(CC7(F)CCNCC7)c56)c4s3)C(=O)C21
InChIInChI=1S/C29H27ClF2N4O2S/c1-28(2)22-23(28)27(38)36(26(22)37)12-16-11-21-25(39-16)17(3-6-34-21)18-9-15(30)10-19-20(31)13-35(24(18)19)14-29(32)4-7-33-8-5-29/h3,6,9-11,13,22-23,33H,4-5,7-8,12,14H2,1-2H3
InChIKeyFUXMPUWRVBMRGZ-UHFFFAOYSA-N
MW569.08 g/mol
LogP5.94
Rot. Bonds5

About 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione

3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (PubChem CID 162744857) has the molecular formula C29H27ClF2N4O2S and a molecular weight of 569.08 g/mol. Its IUPAC name is 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.

Molecular Properties

Compound Name3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
PubChem CID162744857
Molecular FormulaC29H27ClF2N4O2S
Molecular Weight569.08 g/mol
Exact Mass568.15
IUPAC Name3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione
SMILESCC1(C)C2C(=O)N(Cc3cc4nccc(-c5cc(Cl)cc6c(F)cn(CC7(F)CCNCC7)c56)c4s3)C(=O)C21
InChIInChI=1S/C29H27ClF2N4O2S/c1-28(2)22-23(28)27(38)36(26(22)37)12-16-11-21-25(39-16)17(3-6-34-21)18-9-15(30)10-19-20(31)13-35(24(18)19)14-29(32)4-7-33-8-5-29/h3,6,9-11,13,22-23,33H,4-5,7-8,12,14H2,1-2H3
InChIKeyFUXMPUWRVBMRGZ-UHFFFAOYSA-N
XLogP5.94
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500569.08
LogP ≤ 55.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione 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 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The IUPAC name of 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione (CID 162744857) is 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione.
What is the SMILES notation for 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The canonical SMILES for 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is CC1(C)C2C(=O)N(Cc3cc4nccc(-c5cc(Cl)cc6c(F)cn(CC7(F)CCNCC7)c56)c4s3)C(=O)C21.
What is the InChIKey of 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
The InChIKey is FUXMPUWRVBMRGZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H27ClF2N4O2S/c1-28(2)22-23(28)27(38)36(26(22)37)12-16-11-21-25(39-16)17(3-6-34-21)18-9-15(30)10-19-20(31)13-35(24(18)19)14-29(32)4-7-33-8-5-29/h3,6,9-11,13,22-23,33H,4-5,7-8,12,14H2,1-2H3.
What are the key properties of 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione?
3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione has a molecular weight of 569.08 g/mol, XLogP of 5.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[7-[5-chloro-3-fluoro-1-[(4-fluoropiperidin-4-yl)methyl]indol-7-yl]thieno[3,2-b]pyridin-2-yl]methyl]-6,6-dimethyl-3-azabicyclo[3.1.0]hexane-2,4-dione is sourced from PubChem (CID 162744857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).