N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid

C45H47F5N4O8 — CID 44529493

IUPACN-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCC(C)(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3cccnc32)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C41H41F5N4O2.C4H6O6/c1-40(2,3)48-22-19-32(20-23-48)49(25-27-9-11-28(12-10-27)29-13-16-31(17-14-29)41(44,45)46)37(52)26-50-33(18-15-30-6-4-8-35(42)38(30)43)24-36(51)34-7-5-21-47-39(34)50;5-1(3(7)8)2(6)4(9)10/h4-14,16-17,21,24,32H,15,18-20,22-23,25-26H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyPBHDRJBOYWDANL-LREBCSMRSA-N
MW866.88 g/mol
LogP6.31
Rot. Bonds12

About N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid

N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid (PubChem CID 44529493) has the molecular formula C45H47F5N4O8 and a molecular weight of 866.88 g/mol. Its IUPAC name is N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid.

Molecular Properties

Compound NameN-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
PubChem CID44529493
Molecular FormulaC45H47F5N4O8
Molecular Weight866.88 g/mol
Exact Mass866.33
IUPAC NameN-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
SMILESCC(C)(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3cccnc32)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O
InChIInChI=1S/C41H41F5N4O2.C4H6O6/c1-40(2,3)48-22-19-32(20-23-48)49(25-27-9-11-28(12-10-27)29-13-16-31(17-14-29)41(44,45)46)37(52)26-50-33(18-15-30-6-4-8-35(42)38(30)43)24-36(51)34-7-5-21-47-39(34)50;5-1(3(7)8)2(6)4(9)10/h4-14,16-17,21,24,32H,15,18-20,22-23,25-26H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1
InChIKeyPBHDRJBOYWDANL-LREBCSMRSA-N
XLogP6.31
TPSA173.50 Ų
H-Bond Donors4
H-Bond Acceptors9
Rotatable Bonds12
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500866.88
LogP ≤ 56.31
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 109

Analyze N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[4-[[2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]acetyl]-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 25008295
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-(1-propan-2-ylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 23614402
2-[2-[2-(2,3-difluorophenyl)ethyl]-7-methyl-4-oxo-1,8-naphthyridin-1-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid
CID 44535962
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxopyrido[2,3-d]pyrimidin-1-yl]-N-[1-(2-methoxyethyl)piperidin-4-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 69213969
acetic acid;methyl 2-[4-[[2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxopyrido[2,3-d]pyrimidin-1-yl]acetyl]-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]piperidin-1-yl]-2-methylpropanoate
CID 143659392
2-[2-[(2,3-difluorophenyl)methylsulfanyl]-4-oxoquinolin-1-yl]-N-(1-methylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 23614242
2,3-dihydroxybutanedioic acid;ethyl 2-[4-[[2-[2-[2-(2,4-difluorophenyl)ethyl]-4-oxopyrido[2,3-d]pyrimidin-1-yl]acetyl]-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]piperidin-1-yl]-2-methylpropanoate
CID 74379714
2-[4-[[2-[2-[2-(2,3-difluorophenyl)ethyl]-5-methyl-4-oxopyrido[2,3-d]pyrimidin-1-yl]acetyl]-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]amino]piperidin-1-yl]-2-methylpropanoic acid
CID 150452831
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-iminoquinolin-1-yl]-N-(1-ethylpiperidin-4-yl)-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide
CID 162557537
N-[[4-(4-chlorophenyl)phenyl]methyl]-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]-N-(1-methylpiperidin-4-yl)acetamide
CID 10233108
2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-7-(3-pyrrolidin-1-ylpropyl)quinolin-1-yl]-N-methyl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 10312806
2-[7-(diethylaminomethyl)-2-[2-(2,3-difluorophenyl)ethyl]-4-oxoquinolin-1-yl]-N-propan-2-yl-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;2,3-dihydroxybutanedioic acid
CID 10240552

Frequently Asked Questions

What is the IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The IUPAC name of N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid (CID 44529493) is N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid.
What is the SMILES notation for N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The canonical SMILES for N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid is CC(C)(C)N1CCC(N(Cc2ccc(-c3ccc(C(F)(F)F)cc3)cc2)C(=O)Cn2c(CCc3cccc(F)c3F)cc(=O)c3cccnc32)CC1.O=C(O)[C@H](O)[C@@H](O)C(=O)O.
What is the InChIKey of N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
The InChIKey is PBHDRJBOYWDANL-LREBCSMRSA-N. The full InChI is InChI=1S/C41H41F5N4O2.C4H6O6/c1-40(2,3)48-22-19-32(20-23-48)49(25-27-9-11-28(12-10-27)29-13-16-31(17-14-29)41(44,45)46)37(52)26-50-33(18-15-30-6-4-8-35(42)38(30)43)24-36(51)34-7-5-21-47-39(34)50;5-1(3(7)8)2(6)4(9)10/h4-14,16-17,21,24,32H,15,18-20,22-23,25-26H2,1-3H3;1-2,5-6H,(H,7,8)(H,9,10)/t;1-,2-/m.1/s1.
What are the key properties of N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid?
N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid has a molecular weight of 866.88 g/mol, XLogP of 6.31, 12 rotatable bonds, 4 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-tert-butylpiperidin-4-yl)-2-[2-[2-(2,3-difluorophenyl)ethyl]-4-oxo-1,8-naphthyridin-1-yl]-N-[[4-[4-(trifluoromethyl)phenyl]phenyl]methyl]acetamide;(2R,3R)-2,3-dihydroxybutanedioic acid is sourced from PubChem (CID 44529493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).