methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid

C63H60Cl2N8O17 — CID 160557931

IUPACmethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
SMILESC.Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)c1cc(=O)n(-c2ccccn2)[nH]1.Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1.O=C(O)c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C31H27ClN4O8.C22H22ClNO6.C9H7N3O3.CH4/c1-18-26(44-31(41)43-18)17-42-30(40)25(37)15-23(14-19-5-7-20(8-6-19)21-9-11-22(32)12-10-21)34-29(39)24-16-28(38)36(35-24)27-4-2-3-13-33-27;1-13-20(30-22(27)29-13)12-28-21(26)19(25)11-18(24)9-14-5-7-15(8-6-14)16-3-2-4-17(23)10-16;13-8-5-6(9(14)15)11-12(8)7-3-1-2-4-10-7;/h2-13,16,23,25,35,37H,14-15,17H2,1H3,(H,34,39);2-8,10,18-19,25H,9,11-12,24H2,1H3;1-5,11H,(H,14,15);1H4/t23-,25-;18-,19-;;/m11../s1
InChIKeyFFPPQRDZOUXKKG-GNUZGTQPSA-N
MW1272.12 g/mol
LogP7.69
Rot. Bonds21

About methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid

methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid (PubChem CID 160557931) has the molecular formula C63H60Cl2N8O17 and a molecular weight of 1272.12 g/mol. Its IUPAC name is methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid.

Molecular Properties

Compound Namemethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
PubChem CID160557931
Molecular FormulaC63H60Cl2N8O17
Molecular Weight1272.12 g/mol
Exact Mass1270.35
IUPAC Namemethane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid
SMILESC.Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)c1cc(=O)n(-c2ccccn2)[nH]1.Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1.O=C(O)c1cc(=O)n(-c2ccccn2)[nH]1
InChIInChI=1S/C31H27ClN4O8.C22H22ClNO6.C9H7N3O3.CH4/c1-18-26(44-31(41)43-18)17-42-30(40)25(37)15-23(14-19-5-7-20(8-6-19)21-9-11-22(32)12-10-21)34-29(39)24-16-28(38)36(35-24)27-4-2-3-13-33-27;1-13-20(30-22(27)29-13)12-28-21(26)19(25)11-18(24)9-14-5-7-15(8-6-14)16-3-2-4-17(23)10-16;13-8-5-6(9(14)15)11-12(8)7-3-1-2-4-10-7;/h2-13,16,23,25,35,37H,14-15,17H2,1H3,(H,34,39);2-8,10,18-19,25H,9,11-12,24H2,1H3;1-5,11H,(H,14,15);1H4/t23-,25-;18-,19-;;/m11../s1
InChIKeyFFPPQRDZOUXKKG-GNUZGTQPSA-N
XLogP7.69
TPSA373.54 Ų
H-Bond Donors7
H-Bond Acceptors21
Rotatable Bonds21
Heavy Atoms90
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001272.12
LogP ≤ 57.69
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1021

Analyze methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid with MolForge

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Frequently Asked Questions

What is the IUPAC name of methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
The IUPAC name of methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid (CID 160557931) is methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid.
What is the SMILES notation for methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
The canonical SMILES for methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid is C.Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@@H](Cc1ccc(-c2ccc(Cl)cc2)cc1)NC(=O)c1cc(=O)n(-c2ccccn2)[nH]1.Cc1oc(=O)oc1COC(=O)[C@H](O)C[C@H](N)Cc1ccc(-c2cccc(Cl)c2)cc1.O=C(O)c1cc(=O)n(-c2ccccn2)[nH]1.
What is the InChIKey of methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
The InChIKey is FFPPQRDZOUXKKG-GNUZGTQPSA-N. The full InChI is InChI=1S/C31H27ClN4O8.C22H22ClNO6.C9H7N3O3.CH4/c1-18-26(44-31(41)43-18)17-42-30(40)25(37)15-23(14-19-5-7-20(8-6-19)21-9-11-22(32)12-10-21)34-29(39)24-16-28(38)36(35-24)27-4-2-3-13-33-27;1-13-20(30-22(27)29-13)12-28-21(26)19(25)11-18(24)9-14-5-7-15(8-6-14)16-3-2-4-17(23)10-16;13-8-5-6(9(14)15)11-12(8)7-3-1-2-4-10-7;/h2-13,16,23,25,35,37H,14-15,17H2,1H3,(H,34,39);2-8,10,18-19,25H,9,11-12,24H2,1H3;1-5,11H,(H,14,15);1H4/t23-,25-;18-,19-;;/m11../s1.
What are the key properties of methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid?
methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid has a molecular weight of 1272.12 g/mol, XLogP of 7.69, 21 rotatable bonds, 7 hydrogen bond donors, and 21 hydrogen bond acceptors.
Where does this data come from?
All data for methane;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-4-amino-5-[4-(3-chlorophenyl)phenyl]-2-hydroxypentanoate;(5-methyl-2-oxo-1,3-dioxol-4-yl)methyl (2R,4R)-5-[4-(4-chlorophenyl)phenyl]-2-hydroxy-4-[(3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carbonyl)amino]pentanoate;3-oxo-2-pyridin-2-yl-1H-pyrazole-5-carboxylic acid is sourced from PubChem (CID 160557931), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).