(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

C15H17FN4O2 — CID 128985968

IUPAC(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccncc1F
InChIInChI=1S/C15H17FN4O2/c1-20-13(5-7-18-20)14-10(3-2-8-22-14)15(21)19-12-4-6-17-9-11(12)16/h4-7,9-10,14H,2-3,8H2,1H3,(H,17,19,21)/t10-,14-/m1/s1
InChIKeyJFTAERJKPIPBOL-QMTHXVAHSA-N
MW304.32 g/mol
LogP2.06
Rot. Bonds3

About (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide

(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (PubChem CID 128985968) has the molecular formula C15H17FN4O2 and a molecular weight of 304.32 g/mol. Its IUPAC name is (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.

Molecular Properties

Compound Name(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
PubChem CID128985968
Molecular FormulaC15H17FN4O2
Molecular Weight304.32 g/mol
Exact Mass304.13
IUPAC Name(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
SMILESCn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccncc1F
InChIInChI=1S/C15H17FN4O2/c1-20-13(5-7-18-20)14-10(3-2-8-22-14)15(21)19-12-4-6-17-9-11(12)16/h4-7,9-10,14H,2-3,8H2,1H3,(H,17,19,21)/t10-,14-/m1/s1
InChIKeyJFTAERJKPIPBOL-QMTHXVAHSA-N
XLogP2.06
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.32
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-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 (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The IUPAC name of (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide (CID 128985968) is (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide.
What is the SMILES notation for (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The canonical SMILES for (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is Cn1nccc1[C@@H]1OCCC[C@H]1C(=O)Nc1ccncc1F.
What is the InChIKey of (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
The InChIKey is JFTAERJKPIPBOL-QMTHXVAHSA-N. The full InChI is InChI=1S/C15H17FN4O2/c1-20-13(5-7-18-20)14-10(3-2-8-22-14)15(21)19-12-4-6-17-9-11(12)16/h4-7,9-10,14H,2-3,8H2,1H3,(H,17,19,21)/t10-,14-/m1/s1.
What are the key properties of (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide?
(2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide has a molecular weight of 304.32 g/mol, XLogP of 2.06, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R,3R)-N-(3-fluoro-4-pyridinyl)-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide is sourced from PubChem (CID 128985968), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).