N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide

C20H19FN4O2 — CID 135315798

IUPACN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H19FN4O2/c21-17-14-16(6-10-22-17)25-11-7-18(24-25)23-19(26)20(8-12-27-13-9-20)15-4-2-1-3-5-15/h1-7,10-11,14H,8-9,12-13H2,(H,23,24,26)
InChIKeyLODHGRYWJWCBER-UHFFFAOYSA-N
MW366.40 g/mol
LogP3.09
Rot. Bonds4

About N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide (PubChem CID 135315798) has the molecular formula C20H19FN4O2 and a molecular weight of 366.40 g/mol. Its IUPAC name is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide.

Molecular Properties

Compound NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide
PubChem CID135315798
Molecular FormulaC20H19FN4O2
Molecular Weight366.40 g/mol
Exact Mass366.15
IUPAC NameN-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide
SMILESO=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)CCOCC1
InChIInChI=1S/C20H19FN4O2/c21-17-14-16(6-10-22-17)25-11-7-18(24-25)23-19(26)20(8-12-27-13-9-20)15-4-2-1-3-5-15/h1-7,10-11,14H,8-9,12-13H2,(H,23,24,26)
InChIKeyLODHGRYWJWCBER-UHFFFAOYSA-N
XLogP3.09
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.40
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-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-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide?
The IUPAC name of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide (CID 135315798) is N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide.
What is the SMILES notation for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide?
The canonical SMILES for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide is O=C(Nc1ccn(-c2ccnc(F)c2)n1)C1(c2ccccc2)CCOCC1.
What is the InChIKey of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide?
The InChIKey is LODHGRYWJWCBER-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN4O2/c21-17-14-16(6-10-22-17)25-11-7-18(24-25)23-19(26)20(8-12-27-13-9-20)15-4-2-1-3-5-15/h1-7,10-11,14H,8-9,12-13H2,(H,23,24,26).
What are the key properties of N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide?
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide has a molecular weight of 366.40 g/mol, XLogP of 3.09, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide is sourced from PubChem (CID 135315798), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).