(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

C30H25FN6O7 — CID 69279520

IUPAC(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)O)c2)c(C#N)c(NC(=O)c2ccno2)n1
InChIInChI=1S/C30H25FN6O7/c1-42-16-43-26-13-18(31)7-8-20(26)23-14-21(22(15-32)27(35-23)36-29(39)25-9-10-33-44-25)17-4-2-5-19(12-17)34-28(38)24-6-3-11-37(24)30(40)41/h2,4-5,7-10,12-14,24H,3,6,11,16H2,1H3,(H,34,38)(H,40,41)(H,35,36,39)/t24-/m1/s1
InChIKeyGCHSLWFYZMNVIT-XMMPIXPASA-N
MW600.56 g/mol
LogP4.73
Rot. Bonds9

About (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid

(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (PubChem CID 69279520) has the molecular formula C30H25FN6O7 and a molecular weight of 600.56 g/mol. Its IUPAC name is (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.

Molecular Properties

Compound Name(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
PubChem CID69279520
Molecular FormulaC30H25FN6O7
Molecular Weight600.56 g/mol
Exact Mass600.18
IUPAC Name(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid
SMILESCOCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)O)c2)c(C#N)c(NC(=O)c2ccno2)n1
InChIInChI=1S/C30H25FN6O7/c1-42-16-43-26-13-18(31)7-8-20(26)23-14-21(22(15-32)27(35-23)36-29(39)25-9-10-33-44-25)17-4-2-5-19(12-17)34-28(38)24-6-3-11-37(24)30(40)41/h2,4-5,7-10,12-14,24H,3,6,11,16H2,1H3,(H,34,38)(H,40,41)(H,35,36,39)/t24-/m1/s1
InChIKeyGCHSLWFYZMNVIT-XMMPIXPASA-N
XLogP4.73
TPSA179.91 Ų
H-Bond Donors3
H-Bond Acceptors9
Rotatable Bonds9
Heavy Atoms44
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500600.56
LogP ≤ 54.73
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

Analyze (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-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

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The IUPAC name of (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid (CID 69279520) is (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid.
What is the SMILES notation for (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The canonical SMILES for (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is COCOc1cc(F)ccc1-c1cc(-c2cccc(NC(=O)[C@H]3CCCN3C(=O)O)c2)c(C#N)c(NC(=O)c2ccno2)n1.
What is the InChIKey of (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
The InChIKey is GCHSLWFYZMNVIT-XMMPIXPASA-N. The full InChI is InChI=1S/C30H25FN6O7/c1-42-16-43-26-13-18(31)7-8-20(26)23-14-21(22(15-32)27(35-23)36-29(39)25-9-10-33-44-25)17-4-2-5-19(12-17)34-28(38)24-6-3-11-37(24)30(40)41/h2,4-5,7-10,12-14,24H,3,6,11,16H2,1H3,(H,34,38)(H,40,41)(H,35,36,39)/t24-/m1/s1.
What are the key properties of (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid?
(2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid has a molecular weight of 600.56 g/mol, XLogP of 4.73, 9 rotatable bonds, 3 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[3-[3-cyano-6-[4-fluoro-2-(methoxymethoxy)phenyl]-2-(1,2-oxazole-5-carbonylamino)-4-pyridinyl]phenyl]carbamoyl]pyrrolidine-1-carboxylic acid is sourced from PubChem (CID 69279520), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).