5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide

C24H30F4N4O3S — CID 148823336

IUPAC5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)ccc(F)c1=O
InChIInChI=1S/C24H30F4N4O3S/c1-31-19(7-6-17(25)22(31)34)21(33)29-16-4-2-15(3-5-16)8-11-32-12-9-18-20(10-13-32)36-23(30-18)35-14-24(26,27)28/h6-7,15-16H,2-5,8-14H2,1H3,(H,29,33)
InChIKeyOSFGBHRMZGLGDA-UHFFFAOYSA-N
MW530.59 g/mol
LogP3.70
Rot. Bonds7

About 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide

5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide (PubChem CID 148823336) has the molecular formula C24H30F4N4O3S and a molecular weight of 530.59 g/mol. Its IUPAC name is 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide.

Molecular Properties

Compound Name5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide
PubChem CID148823336
Molecular FormulaC24H30F4N4O3S
Molecular Weight530.59 g/mol
Exact Mass530.20
IUPAC Name5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide
SMILESCn1c(C(=O)NC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)ccc(F)c1=O
InChIInChI=1S/C24H30F4N4O3S/c1-31-19(7-6-17(25)22(31)34)21(33)29-16-4-2-15(3-5-16)8-11-32-12-9-18-20(10-13-32)36-23(30-18)35-14-24(26,27)28/h6-7,15-16H,2-5,8-14H2,1H3,(H,29,33)
InChIKeyOSFGBHRMZGLGDA-UHFFFAOYSA-N
XLogP3.70
TPSA76.46 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500530.59
LogP ≤ 53.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide 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 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide?
The IUPAC name of 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide (CID 148823336) is 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide.
What is the SMILES notation for 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide?
The canonical SMILES for 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide is Cn1c(C(=O)NC2CCC(CCN3CCc4nc(OCC(F)(F)F)sc4CC3)CC2)ccc(F)c1=O.
What is the InChIKey of 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide?
The InChIKey is OSFGBHRMZGLGDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30F4N4O3S/c1-31-19(7-6-17(25)22(31)34)21(33)29-16-4-2-15(3-5-16)8-11-32-12-9-18-20(10-13-32)36-23(30-18)35-14-24(26,27)28/h6-7,15-16H,2-5,8-14H2,1H3,(H,29,33).
What are the key properties of 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide?
5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide has a molecular weight of 530.59 g/mol, XLogP of 3.70, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-1-methyl-6-oxo-N-[4-[2-[2-(2,2,2-trifluoroethoxy)-4,5,7,8-tetrahydro-[1,3]thiazolo[4,5-d]azepin-6-yl]ethyl]cyclohexyl]pyridine-2-carboxamide is sourced from PubChem (CID 148823336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).