3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid

C110H134Cl4N20O17 — CID 157420722

IUPAC3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)OCc1c(C(=O)NC(CC(=O)O)c2cccc(Cl)c2)cnn1CCc1ccc2c(n1)NCCC2.CC(C)(C)OCc1c(C(=O)O)cnn1CCc1ccc2c(n1)NCCC2.COC(=O)CC(N)c1cccc(Cl)c1.COC(=O)CC(NC(=O)c1cnn(CCc2ccc3c(n2)NCCC3)c1COC(C)(C)C)c1cccc(Cl)c1.O=C(O)CC(NC(=O)c1cnn(CCc2ccc3c(n2)NCCC3)c1CO)c1cccc(Cl)c1
InChIInChI=1S/C29H36ClN5O4.C28H34ClN5O4.C24H26ClN5O4.C19H26N4O3.C10H12ClNO2/c1-29(2,3)39-18-25-23(28(37)34-24(16-26(36)38-4)20-7-5-9-21(30)15-20)17-32-35(25)14-12-22-11-10-19-8-6-13-31-27(19)33-22;1-28(2,3)38-17-24-22(27(37)33-23(15-25(35)36)19-6-4-8-20(29)14-19)16-31-34(24)13-11-21-10-9-18-7-5-12-30-26(18)32-21;25-17-5-1-3-16(11-17)20(12-22(32)33)29-24(34)19-13-27-30(21(19)14-31)10-8-18-7-6-15-4-2-9-26-23(15)28-18;1-19(2,3)26-12-16-15(18(24)25)11-21-23(16)10-8-14-7-6-13-5-4-9-20-17(13)22-14;1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h5,7,9-11,15,17,24H,6,8,12-14,16,18H2,1-4H3,(H,31,33)(H,34,37);4,6,8-10,14,16,23H,5,7,11-13,15,17H2,1-3H3,(H,30,32)(H,33,37)(H,35,36);1,3,5-7,11,13,20,31H,2,4,8-10,12,14H2,(H,26,28)(H,29,34)(H,32,33);6-7,11H,4-5,8-10,12H2,1-3H3,(H,20,22)(H,24,25);2-5,9H,6,12H2,1H3
InChIKeyBPJGKDXHLXPFPP-UHFFFAOYSA-N
MW2150.22 g/mol
LogP17.44
Rot. Bonds38

About 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid

3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid (PubChem CID 157420722) has the molecular formula C110H134Cl4N20O17 and a molecular weight of 2150.22 g/mol. Its IUPAC name is 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid.

Molecular Properties

Compound Name3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid
PubChem CID157420722
Molecular FormulaC110H134Cl4N20O17
Molecular Weight2150.22 g/mol
Exact Mass2146.90
IUPAC Name3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid
SMILESCC(C)(C)OCc1c(C(=O)NC(CC(=O)O)c2cccc(Cl)c2)cnn1CCc1ccc2c(n1)NCCC2.CC(C)(C)OCc1c(C(=O)O)cnn1CCc1ccc2c(n1)NCCC2.COC(=O)CC(N)c1cccc(Cl)c1.COC(=O)CC(NC(=O)c1cnn(CCc2ccc3c(n2)NCCC3)c1COC(C)(C)C)c1cccc(Cl)c1.O=C(O)CC(NC(=O)c1cnn(CCc2ccc3c(n2)NCCC3)c1CO)c1cccc(Cl)c1
InChIInChI=1S/C29H36ClN5O4.C28H34ClN5O4.C24H26ClN5O4.C19H26N4O3.C10H12ClNO2/c1-29(2,3)39-18-25-23(28(37)34-24(16-26(36)38-4)20-7-5-9-21(30)15-20)17-32-35(25)14-12-22-11-10-19-8-6-13-31-27(19)33-22;1-28(2,3)38-17-24-22(27(37)33-23(15-25(35)36)19-6-4-8-20(29)14-19)16-31-34(24)13-11-21-10-9-18-7-5-12-30-26(18)32-21;25-17-5-1-3-16(11-17)20(12-22(32)33)29-24(34)19-13-27-30(21(19)14-31)10-8-18-7-6-15-4-2-9-26-23(15)28-18;1-19(2,3)26-12-16-15(18(24)25)11-21-23(16)10-8-14-7-6-13-5-4-9-20-17(13)22-14;1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h5,7,9-11,15,17,24H,6,8,12-14,16,18H2,1-4H3,(H,31,33)(H,34,37);4,6,8-10,14,16,23H,5,7,11-13,15,17H2,1-3H3,(H,30,32)(H,33,37)(H,35,36);1,3,5-7,11,13,20,31H,2,4,8-10,12,14H2,(H,26,28)(H,29,34)(H,32,33);6-7,11H,4-5,8-10,12H2,1-3H3,(H,20,22)(H,24,25);2-5,9H,6,12H2,1H3
InChIKeyBPJGKDXHLXPFPP-UHFFFAOYSA-N
XLogP17.44
TPSA496.70 Ų
H-Bond Donors12
H-Bond Acceptors31
Rotatable Bonds38
Heavy Atoms151
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002150.22
LogP ≤ 517.44
H-Bond Donors ≤ 512
H-Bond Acceptors ≤ 1031

Analyze 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic 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

Methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate
CID 134512870
3-(3-Chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 134512872
Methyl 3-(3,5-dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carbonyl]amino]propanoate
CID 134513162
3-(3,5-Dichlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414257
3-(3,4-Dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414306
3-(3,5-Dichlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(2-methyl-5,6,7,8-tetrahydro-1,8-naphthyridin-3-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414368
3-(3,5-Dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414394
3-(3,5-Dichlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414401
3-(3,5-Dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[3-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)propyl]pyrazole-4-carbonyl]amino]propanoic acid
CID 139414434
Methyl 3-(3,5-dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate
CID 139422180
3-(3,5-Dichlorophenyl)-3-[[3-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-(3,5-dichlorophenyl)-3-[[3-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate
CID 157646666
(3S)-3-(3,5-dichlorophenyl)-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;ethyl (3S)-3-amino-3-(3,5-dichlorophenyl)propanoate;ethyl (3S)-3-(3,5-dichlorophenyl)-3-[[1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid
CID 157661982

Frequently Asked Questions

What is the IUPAC name of 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid?
The IUPAC name of 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid (CID 157420722) is 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid.
What is the SMILES notation for 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid?
The canonical SMILES for 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid is CC(C)(C)OCc1c(C(=O)NC(CC(=O)O)c2cccc(Cl)c2)cnn1CCc1ccc2c(n1)NCCC2.CC(C)(C)OCc1c(C(=O)O)cnn1CCc1ccc2c(n1)NCCC2.COC(=O)CC(N)c1cccc(Cl)c1.COC(=O)CC(NC(=O)c1cnn(CCc2ccc3c(n2)NCCC3)c1COC(C)(C)C)c1cccc(Cl)c1.O=C(O)CC(NC(=O)c1cnn(CCc2ccc3c(n2)NCCC3)c1CO)c1cccc(Cl)c1.
What is the InChIKey of 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid?
The InChIKey is BPJGKDXHLXPFPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H36ClN5O4.C28H34ClN5O4.C24H26ClN5O4.C19H26N4O3.C10H12ClNO2/c1-29(2,3)39-18-25-23(28(37)34-24(16-26(36)38-4)20-7-5-9-21(30)15-20)17-32-35(25)14-12-22-11-10-19-8-6-13-31-27(19)33-22;1-28(2,3)38-17-24-22(27(37)33-23(15-25(35)36)19-6-4-8-20(29)14-19)16-31-34(24)13-11-21-10-9-18-7-5-12-30-26(18)32-21;25-17-5-1-3-16(11-17)20(12-22(32)33)29-24(34)19-13-27-30(21(19)14-31)10-8-18-7-6-15-4-2-9-26-23(15)28-18;1-19(2,3)26-12-16-15(18(24)25)11-21-23(16)10-8-14-7-6-13-5-4-9-20-17(13)22-14;1-14-10(13)6-9(12)7-3-2-4-8(11)5-7/h5,7,9-11,15,17,24H,6,8,12-14,16,18H2,1-4H3,(H,31,33)(H,34,37);4,6,8-10,14,16,23H,5,7,11-13,15,17H2,1-3H3,(H,30,32)(H,33,37)(H,35,36);1,3,5-7,11,13,20,31H,2,4,8-10,12,14H2,(H,26,28)(H,29,34)(H,32,33);6-7,11H,4-5,8-10,12H2,1-3H3,(H,20,22)(H,24,25);2-5,9H,6,12H2,1H3.
What are the key properties of 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid?
3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid has a molecular weight of 2150.22 g/mol, XLogP of 17.44, 38 rotatable bonds, 12 hydrogen bond donors, and 31 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-chlorophenyl)-3-[[5-(hydroxymethyl)-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoic acid;methyl 3-amino-3-(3-chlorophenyl)propanoate;methyl 3-(3-chlorophenyl)-3-[[5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carbonyl]amino]propanoate;5-[(2-methylpropan-2-yl)oxymethyl]-1-[2-(5,6,7,8-tetrahydro-1,8-naphthyridin-2-yl)ethyl]pyrazole-4-carboxylic acid is sourced from PubChem (CID 157420722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).