N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide

C25H33F3N4O3 — CID 146895103

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4cc(F)c(OCC(F)F)nc4CC3)CC2)o1
InChIInChI=1S/C25H33F3N4O3/c1-16-29-14-20(35-16)13-24(33)30-19-4-2-17(3-5-19)6-9-32-10-7-18-12-21(26)25(34-15-23(27)28)31-22(18)8-11-32/h12,14,17,19,23H,2-11,13,15H2,1H3,(H,30,33)
InChIKeyTWMFCAREOZITRX-UHFFFAOYSA-N
MW494.56 g/mol
LogP3.87
Rot. Bonds9

About N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide

N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide (PubChem CID 146895103) has the molecular formula C25H33F3N4O3 and a molecular weight of 494.56 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide
PubChem CID146895103
Molecular FormulaC25H33F3N4O3
Molecular Weight494.56 g/mol
Exact Mass494.25
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4cc(F)c(OCC(F)F)nc4CC3)CC2)o1
InChIInChI=1S/C25H33F3N4O3/c1-16-29-14-20(35-16)13-24(33)30-19-4-2-17(3-5-19)6-9-32-10-7-18-12-21(26)25(34-15-23(27)28)31-22(18)8-11-32/h12,14,17,19,23H,2-11,13,15H2,1H3,(H,30,33)
InChIKeyTWMFCAREOZITRX-UHFFFAOYSA-N
XLogP3.87
TPSA80.49 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500494.56
LogP ≤ 53.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide 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 N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide (CID 146895103) is N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide is Cc1ncc(CC(=O)NC2CCC(CCN3CCc4cc(F)c(OCC(F)F)nc4CC3)CC2)o1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide?
The InChIKey is TWMFCAREOZITRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33F3N4O3/c1-16-29-14-20(35-16)13-24(33)30-19-4-2-17(3-5-19)6-9-32-10-7-18-12-21(26)25(34-15-23(27)28)31-22(18)8-11-32/h12,14,17,19,23H,2-11,13,15H2,1H3,(H,30,33).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide has a molecular weight of 494.56 g/mol, XLogP of 3.87, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[2-[2-(2,2-difluoroethoxy)-3-fluoro-5,6,8,9-tetrahydropyrido[2,3-d]azepin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-oxazol-5-yl)acetamide is sourced from PubChem (CID 146895103), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).