N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

C24H32F2N4O2S — CID 138671530

IUPACN-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OCC(F)F)nc4C3)CC2)s1
InChIInChI=1S/C24H32F2N4O2S/c1-16-27-13-20(33-16)12-23(31)28-19-5-2-17(3-6-19)8-10-30-11-9-18-4-7-24(29-21(18)14-30)32-15-22(25)26/h4,7,13,17,19,22H,2-3,5-6,8-12,14-15H2,1H3,(H,28,31)
InChIKeySMDSNHIYJVXTOK-UHFFFAOYSA-N
MW478.61 g/mol
LogP4.16
Rot. Bonds9

About N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide

N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (PubChem CID 138671530) has the molecular formula C24H32F2N4O2S and a molecular weight of 478.61 g/mol. Its IUPAC name is N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.

Molecular Properties

Compound NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
PubChem CID138671530
Molecular FormulaC24H32F2N4O2S
Molecular Weight478.61 g/mol
Exact Mass478.22
IUPAC NameN-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide
SMILESCc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OCC(F)F)nc4C3)CC2)s1
InChIInChI=1S/C24H32F2N4O2S/c1-16-27-13-20(33-16)12-23(31)28-19-5-2-17(3-6-19)8-10-30-11-9-18-4-7-24(29-21(18)14-30)32-15-22(25)26/h4,7,13,17,19,22H,2-3,5-6,8-12,14-15H2,1H3,(H,28,31)
InChIKeySMDSNHIYJVXTOK-UHFFFAOYSA-N
XLogP4.16
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500478.61
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide with MolForge

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Related Compounds

CID 138670319
CID 138670319
CID 138670369
CID 138670369
CID 138670387
CID 138670387
CID 89739407
CID 89739407
CID 149357379
CID 149357379
CID 138670791
CID 138670791
CID 24818967
CID 24818967
CID 46948489
CID 46948489
CID 49778633
CID 49778633
CID 138670700
CID 138670700
CID 25124831
CID 25124831
CID 25125172
CID 25125172

Frequently Asked Questions

What is the IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The IUPAC name of N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide (CID 138671530) is N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide.
What is the SMILES notation for N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The canonical SMILES for N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is Cc1ncc(CC(=O)NC2CCC(CCN3CCc4ccc(OCC(F)F)nc4C3)CC2)s1.
What is the InChIKey of N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
The InChIKey is SMDSNHIYJVXTOK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32F2N4O2S/c1-16-27-13-20(33-16)12-23(31)28-19-5-2-17(3-6-19)8-10-30-11-9-18-4-7-24(29-21(18)14-30)32-15-22(25)26/h4,7,13,17,19,22H,2-3,5-6,8-12,14-15H2,1H3,(H,28,31).
What are the key properties of N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide?
N-[4-[2-[2-(2,2-difluoroethoxy)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide has a molecular weight of 478.61 g/mol, XLogP of 4.16, 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)-6,8-dihydro-5H-1,7-naphthyridin-7-yl]ethyl]cyclohexyl]-2-(2-methyl-1,3-thiazol-5-yl)acetamide is sourced from PubChem (CID 138671530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).