molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate

C25H34F2N2O7 — CID 145112079

IUPACmolecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate
SMILESCOc1c(C(=O)OC(C)C)n(C2(C)CCOC2OC)cc(C(=O)NCc2ccc(F)c(C)c2F)c1=O.[H][H].[H][H]
InChIInChI=1S/C25H30F2N2O7.2H2/c1-13(2)36-23(32)19-21(33-5)20(30)16(12-29(19)25(4)9-10-35-24(25)34-6)22(31)28-11-15-7-8-17(26)14(3)18(15)27;;/h7-8,12-13,24H,9-11H2,1-6H3,(H,28,31);2*1H
InChIKeyRZWZLASNMJMOQW-UHFFFAOYSA-N
MW512.55 g/mol
LogP3.54
Rot. Bonds8

About molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate

molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate (PubChem CID 145112079) has the molecular formula C25H34F2N2O7 and a molecular weight of 512.55 g/mol. Its IUPAC name is molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate.

Molecular Properties

Compound Namemolecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate
PubChem CID145112079
Molecular FormulaC25H34F2N2O7
Molecular Weight512.55 g/mol
Exact Mass512.23
IUPAC Namemolecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate
SMILESCOc1c(C(=O)OC(C)C)n(C2(C)CCOC2OC)cc(C(=O)NCc2ccc(F)c(C)c2F)c1=O.[H][H].[H][H]
InChIInChI=1S/C25H30F2N2O7.2H2/c1-13(2)36-23(32)19-21(33-5)20(30)16(12-29(19)25(4)9-10-35-24(25)34-6)22(31)28-11-15-7-8-17(26)14(3)18(15)27;;/h7-8,12-13,24H,9-11H2,1-6H3,(H,28,31);2*1H
InChIKeyRZWZLASNMJMOQW-UHFFFAOYSA-N
XLogP3.54
TPSA105.09 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500512.55
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate 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 molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate?
The IUPAC name of molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate (CID 145112079) is molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate.
What is the SMILES notation for molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate?
The canonical SMILES for molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate is COc1c(C(=O)OC(C)C)n(C2(C)CCOC2OC)cc(C(=O)NCc2ccc(F)c(C)c2F)c1=O.[H][H].[H][H].
What is the InChIKey of molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate?
The InChIKey is RZWZLASNMJMOQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30F2N2O7.2H2/c1-13(2)36-23(32)19-21(33-5)20(30)16(12-29(19)25(4)9-10-35-24(25)34-6)22(31)28-11-15-7-8-17(26)14(3)18(15)27;;/h7-8,12-13,24H,9-11H2,1-6H3,(H,28,31);2*1H.
What are the key properties of molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate?
molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate has a molecular weight of 512.55 g/mol, XLogP of 3.54, 8 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for molecular hydrogen;propan-2-yl 5-[(2,4-difluoro-3-methylphenyl)methylcarbamoyl]-3-methoxy-1-(2-methoxy-3-methyloxolan-3-yl)-4-oxopyridine-2-carboxylate is sourced from PubChem (CID 145112079), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).