(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide

C21H22N4O3 — CID 128972832

IUPAC(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide
SMILESCOc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C)nc1
InChIInChI=1S/C21H22N4O3/c1-14-7-8-15(13-22-14)24-21(26)16-10-12-28-20(16)18-9-11-23-25(18)17-5-3-4-6-19(17)27-2/h3-9,11,13,16,20H,10,12H2,1-2H3,(H,24,26)/t16-,20-/m0/s1
InChIKeyPUCIMAMSJLDQMY-JXFKEZNVSA-N
MW378.43 g/mol
LogP3.30
Rot. Bonds5

About (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide

(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide (PubChem CID 128972832) has the molecular formula C21H22N4O3 and a molecular weight of 378.43 g/mol. Its IUPAC name is (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide
PubChem CID128972832
Molecular FormulaC21H22N4O3
Molecular Weight378.43 g/mol
Exact Mass378.17
IUPAC Name(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide
SMILESCOc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C)nc1
InChIInChI=1S/C21H22N4O3/c1-14-7-8-15(13-22-14)24-21(26)16-10-12-28-20(16)18-9-11-23-25(18)17-5-3-4-6-19(17)27-2/h3-9,11,13,16,20H,10,12H2,1-2H3,(H,24,26)/t16-,20-/m0/s1
InChIKeyPUCIMAMSJLDQMY-JXFKEZNVSA-N
XLogP3.30
TPSA78.27 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.43
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide (CID 128972832) is (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide is COc1ccccc1-n1nccc1[C@H]1OCC[C@@H]1C(=O)Nc1ccc(C)nc1.
What is the InChIKey of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide?
The InChIKey is PUCIMAMSJLDQMY-JXFKEZNVSA-N. The full InChI is InChI=1S/C21H22N4O3/c1-14-7-8-15(13-22-14)24-21(26)16-10-12-28-20(16)18-9-11-23-25(18)17-5-3-4-6-19(17)27-2/h3-9,11,13,16,20H,10,12H2,1-2H3,(H,24,26)/t16-,20-/m0/s1.
What are the key properties of (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide?
(2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide has a molecular weight of 378.43 g/mol, XLogP of 3.30, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-2-[2-(2-methoxyphenyl)pyrazol-3-yl]-N-(6-methyl-3-pyridinyl)oxolane-3-carboxamide is sourced from PubChem (CID 128972832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).