N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide

C20H13F3N4O4 — CID 90124875

IUPACN-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESO=C(N[C@@H](c1ccc(OCF)c(F)c1)c1ncccc1F)c1ccc2[nH]c(=O)oc2n1
InChIInChI=1S/C20H13F3N4O4/c21-9-30-15-6-3-10(8-12(15)23)16(17-11(22)2-1-7-24-17)27-18(28)13-4-5-14-19(25-13)31-20(29)26-14/h1-8,16H,9H2,(H,26,29)(H,27,28)/t16-/m0/s1
InChIKeyAGQHVFJHSDDFMV-INIZCTEOSA-N
MW430.34 g/mol
LogP3.01
Rot. Bonds6

About N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide

N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide (PubChem CID 90124875) has the molecular formula C20H13F3N4O4 and a molecular weight of 430.34 g/mol. Its IUPAC name is N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide.

Molecular Properties

Compound NameN-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide
PubChem CID90124875
Molecular FormulaC20H13F3N4O4
Molecular Weight430.34 g/mol
Exact Mass430.09
IUPAC NameN-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide
SMILESO=C(N[C@@H](c1ccc(OCF)c(F)c1)c1ncccc1F)c1ccc2[nH]c(=O)oc2n1
InChIInChI=1S/C20H13F3N4O4/c21-9-30-15-6-3-10(8-12(15)23)16(17-11(22)2-1-7-24-17)27-18(28)13-4-5-14-19(25-13)31-20(29)26-14/h1-8,16H,9H2,(H,26,29)(H,27,28)/t16-/m0/s1
InChIKeyAGQHVFJHSDDFMV-INIZCTEOSA-N
XLogP3.01
TPSA110.11 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.34
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide 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 N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide?
The IUPAC name of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide (CID 90124875) is N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide.
What is the SMILES notation for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide?
The canonical SMILES for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide is O=C(N[C@@H](c1ccc(OCF)c(F)c1)c1ncccc1F)c1ccc2[nH]c(=O)oc2n1.
What is the InChIKey of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide?
The InChIKey is AGQHVFJHSDDFMV-INIZCTEOSA-N. The full InChI is InChI=1S/C20H13F3N4O4/c21-9-30-15-6-3-10(8-12(15)23)16(17-11(22)2-1-7-24-17)27-18(28)13-4-5-14-19(25-13)31-20(29)26-14/h1-8,16H,9H2,(H,26,29)(H,27,28)/t16-/m0/s1.
What are the key properties of N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide?
N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide has a molecular weight of 430.34 g/mol, XLogP of 3.01, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(S)-[3-fluoro-4-(fluoromethoxy)phenyl]-(3-fluoro-2-pyridinyl)methyl]-2-oxo-1H-[1,3]oxazolo[5,4-b]pyridine-5-carboxamide is sourced from PubChem (CID 90124875), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).