(1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

C17H19FN4O2 — CID 142489982

IUPAC(1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc([C@H]2[C@H]3O[C@H](C[C@H]3F)[C@@H]2C(=O)Nc2ccn(C)n2)ccn1
InChIInChI=1S/C17H19FN4O2/c1-9-7-10(3-5-19-9)14-15(12-8-11(18)16(14)24-12)17(23)20-13-4-6-22(2)21-13/h3-7,11-12,14-16H,8H2,1-2H3,(H,20,21,23)/t11-,12-,14-,15+,16+/m1/s1
InChIKeyUNVBTIYZNQLLCZ-HPCJDURASA-N
MW330.36 g/mol
LogP1.97
Rot. Bonds3

About (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide

(1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (PubChem CID 142489982) has the molecular formula C17H19FN4O2 and a molecular weight of 330.36 g/mol. Its IUPAC name is (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.

Molecular Properties

Compound Name(1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
PubChem CID142489982
Molecular FormulaC17H19FN4O2
Molecular Weight330.36 g/mol
Exact Mass330.15
IUPAC Name(1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide
SMILESCc1cc([C@H]2[C@H]3O[C@H](C[C@H]3F)[C@@H]2C(=O)Nc2ccn(C)n2)ccn1
InChIInChI=1S/C17H19FN4O2/c1-9-7-10(3-5-19-9)14-15(12-8-11(18)16(14)24-12)17(23)20-13-4-6-22(2)21-13/h3-7,11-12,14-16H,8H2,1-2H3,(H,20,21,23)/t11-,12-,14-,15+,16+/m1/s1
InChIKeyUNVBTIYZNQLLCZ-HPCJDURASA-N
XLogP1.97
TPSA69.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.36
LogP ≤ 51.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide with MolForge

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Related Compounds

N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-4-phenyloxane-4-carboxamide
CID 135315798
N-[1-(2-fluoro-4-pyridinyl)pyrazol-3-yl]-3-phenyloxetane-3-carboxamide
CID 135316149
N-[1-[(3,4-difluorophenyl)methyl]pyrazol-3-yl]-2-[6-(3-fluorooxetan-3-yl)-3-pyridinyl]acetamide
CID 141634238
(1R,2R,3S,4R,5S)-5-hydroxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 146627273
5-hydroxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)pyridin-2-yl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 146627276
(1S,2S,3R,4S,5R)-5-hydroxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-4-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 156771618
(1R,2R,3S,4R,5S)-5-hydroxy-3-[1-methyl-3-(trifluoromethyl)pyrazol-5-yl]-N-[4-(trifluoromethyl)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 163505939
(1R,2R,3S,4R,5S)-3-(1,3-dimethylpyrazol-4-yl)-5-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 163506600
(1R,2R,3S,4R,5S)-N-[6-cyclopropyl-4-(trifluoromethyl)-2-pyridinyl]-3-(1,3-dimethylpyrazol-4-yl)-5-hydroxy-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 163631535
(1R,2R,4S,5R,6S)-4-(1,3-dimethylpyrazol-4-yl)-6-hydroxy-N-[4-(trifluoromethyl)-2-pyridinyl]-8-oxatricyclo[3.2.1.02,4]octane-2-carboxamide
CID 163716510
(1R,2R,3S,4R,5S)-3-(1,3-dimethylpyrazol-4-yl)-5-hydroxy-N-[6-methyl-4-(trifluoromethyl)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 163777951
(1R,2R,3S,4R,5S)-5-hydroxy-3-(3-methyl-1-propan-2-ylpyrazol-4-yl)-N-[4-(trifluoromethyl)-2-pyridinyl]-7-oxabicyclo[2.2.1]heptane-2-carboxamide
CID 164105637

Frequently Asked Questions

What is the IUPAC name of (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The IUPAC name of (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide (CID 142489982) is (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide.
What is the SMILES notation for (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The canonical SMILES for (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is Cc1cc([C@H]2[C@H]3O[C@H](C[C@H]3F)[C@@H]2C(=O)Nc2ccn(C)n2)ccn1.
What is the InChIKey of (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
The InChIKey is UNVBTIYZNQLLCZ-HPCJDURASA-N. The full InChI is InChI=1S/C17H19FN4O2/c1-9-7-10(3-5-19-9)14-15(12-8-11(18)16(14)24-12)17(23)20-13-4-6-22(2)21-13/h3-7,11-12,14-16H,8H2,1-2H3,(H,20,21,23)/t11-,12-,14-,15+,16+/m1/s1.
What are the key properties of (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide?
(1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide has a molecular weight of 330.36 g/mol, XLogP of 1.97, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,2R,3S,4R,5R)-5-fluoro-N-(1-methylpyrazol-3-yl)-3-(2-methyl-4-pyridinyl)-7-oxabicyclo[2.2.1]heptane-2-carboxamide is sourced from PubChem (CID 142489982), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).