(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

C20H28N4O3 — CID 128982480

IUPAC(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1C(C)O
InChIInChI=1S/C20H28N4O3/c1-12(2)24-18(7-9-22-24)19-17(8-10-27-19)20(26)21-11-15-5-6-16(14(4)25)13(3)23-15/h5-7,9,12,14,17,19,25H,8,10-11H2,1-4H3,(H,21,26)/t14?,17-,19-/m0/s1
InChIKeyNTFOQNLVFMYIIC-WGAGKFISSA-N
MW372.47 g/mol
LogP2.61
Rot. Bonds6

About (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide

(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (PubChem CID 128982480) has the molecular formula C20H28N4O3 and a molecular weight of 372.47 g/mol. Its IUPAC name is (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.

Molecular Properties

Compound Name(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
PubChem CID128982480
Molecular FormulaC20H28N4O3
Molecular Weight372.47 g/mol
Exact Mass372.22
IUPAC Name(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
SMILESCc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1C(C)O
InChIInChI=1S/C20H28N4O3/c1-12(2)24-18(7-9-22-24)19-17(8-10-27-19)20(26)21-11-15-5-6-16(14(4)25)13(3)23-15/h5-7,9,12,14,17,19,25H,8,10-11H2,1-4H3,(H,21,26)/t14?,17-,19-/m0/s1
InChIKeyNTFOQNLVFMYIIC-WGAGKFISSA-N
XLogP2.61
TPSA89.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.47
LogP ≤ 52.61
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxane-3-carboxylic acid
CID 124710177
(2R,3R)-N-[(8-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 128973125
(2S,3S)-N-[3-(tert-butylcarbamoyl)phenyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide
CID 128972997
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-[(1S)-1-(3-sulfamoylphenyl)ethyl]oxolane-3-carboxamide
CID 129325296
(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)-N-(6-pyrrolidin-1-yl-3-pyridinyl)oxolane-3-carboxamide
CID 128970506
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-[(5-methyl-3-pyridinyl)methyl]oxolane-3-carboxamide
CID 128966406
(2R,3R)-N-[(6-methylimidazo[1,2-a]pyridin-2-yl)methyl]-2-(1-methylimidazol-2-yl)oxolane-3-carboxamide
CID 128970673
(2R,3R)-N-[(1-methylbenzimidazol-2-yl)methyl]-2-(2-methylpyrazol-3-yl)oxane-3-carboxamide
CID 128975623
(2R,3R)-2-(1-propan-2-ylpyrazol-4-yl)-N-(1,3-thiazol-2-ylmethyl)oxolane-3-carboxamide
CID 166324188
(2R,3R)-N-[(2-methoxy-3-pyridinyl)methyl]-2-(2-methylpyrazol-3-yl)oxolane-3-carboxamide
CID 129000051
N-[(2S,3S)-2-(2-propan-2-ylpyrazol-3-yl)oxolan-3-yl]oxan-3-amine
CID 128980719
(2R,3R)-2-(2-methylpyrazol-3-yl)-N-(thiolan-2-ylmethyl)oxolane-3-carboxamide
CID 129000954

Frequently Asked Questions

What is the IUPAC name of (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The IUPAC name of (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide (CID 128982480) is (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide.
What is the SMILES notation for (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The canonical SMILES for (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is Cc1nc(CNC(=O)[C@H]2CCO[C@@H]2c2ccnn2C(C)C)ccc1C(C)O.
What is the InChIKey of (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
The InChIKey is NTFOQNLVFMYIIC-WGAGKFISSA-N. The full InChI is InChI=1S/C20H28N4O3/c1-12(2)24-18(7-9-22-24)19-17(8-10-27-19)20(26)21-11-15-5-6-16(14(4)25)13(3)23-15/h5-7,9,12,14,17,19,25H,8,10-11H2,1-4H3,(H,21,26)/t14?,17-,19-/m0/s1.
What are the key properties of (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide?
(2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide has a molecular weight of 372.47 g/mol, XLogP of 2.61, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,3S)-N-[[5-(1-hydroxyethyl)-6-methyl-2-pyridinyl]methyl]-2-(2-propan-2-ylpyrazol-3-yl)oxolane-3-carboxamide is sourced from PubChem (CID 128982480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).