(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide

C17H20N6O4S — CID 55941346

IUPAC(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H20N6O4S/c1-11-16(13(3)27-21-11)28(25,26)22-12(2)17(24)19-10-14-5-6-15(18-9-14)23-8-4-7-20-23/h4-9,12,22H,10H2,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyHSHFLPIPCZJTID-LBPRGKRZSA-N
MW404.45 g/mol
LogP0.86
Rot. Bonds7

About (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide

(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide (PubChem CID 55941346) has the molecular formula C17H20N6O4S and a molecular weight of 404.45 g/mol. Its IUPAC name is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide.

Molecular Properties

Compound Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
PubChem CID55941346
Molecular FormulaC17H20N6O4S
Molecular Weight404.45 g/mol
Exact Mass404.13
IUPAC Name(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide
SMILESCc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(-n2cccn2)nc1
InChIInChI=1S/C17H20N6O4S/c1-11-16(13(3)27-21-11)28(25,26)22-12(2)17(24)19-10-14-5-6-15(18-9-14)23-8-4-7-20-23/h4-9,12,22H,10H2,1-3H3,(H,19,24)/t12-/m0/s1
InChIKeyHSHFLPIPCZJTID-LBPRGKRZSA-N
XLogP0.86
TPSA132.01 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.45
LogP ≤ 50.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Launch Full Analysis

Related Compounds

(2R)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349453
(2S)-2-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 25349454
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[3-[(3,5-dimethylpyrazol-1-yl)methyl]phenyl]methyl]propanamide
CID 55940777
2-[(3,5-dimethyl-1,2-oxazol-4-yl)methylsulfanyl]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]acetamide
CID 30377907
N-[(2S)-1-oxo-1-[(6-pyrazol-1-yl-3-pyridinyl)methylamino]propan-2-yl]furan-3-carboxamide
CID 94032072
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(3,4,5-trimethoxyphenyl)methyl]propanamide
CID 55937487
(2R)-2-[(2R,6R)-2,6-dimethylmorpholin-4-yl]-3-methyl-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]butanamide
CID 98727349
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[[2-(dimethylsulfamoyl)phenyl]methyl]propanamide
CID 55941738
(2R)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(2S)-2-phenylbutyl]propanamide
CID 51925027
2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[2-(methylamino)ethyl]propanamide
CID 119501278
tert-butyl N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]carbamate
CID 134193569
3,5-dimethyl-N-[(2S)-1-pyrazol-1-ylpropan-2-yl]-1,2-oxazole-4-sulfonamide
CID 94162195

Frequently Asked Questions

What is the IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
The IUPAC name of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide (CID 55941346) is (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide.
What is the SMILES notation for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
The canonical SMILES for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide is Cc1noc(C)c1S(=O)(=O)N[C@@H](C)C(=O)NCc1ccc(-n2cccn2)nc1.
What is the InChIKey of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
The InChIKey is HSHFLPIPCZJTID-LBPRGKRZSA-N. The full InChI is InChI=1S/C17H20N6O4S/c1-11-16(13(3)27-21-11)28(25,26)22-12(2)17(24)19-10-14-5-6-15(18-9-14)23-8-4-7-20-23/h4-9,12,22H,10H2,1-3H3,(H,19,24)/t12-/m0/s1.
What are the key properties of (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide?
(2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide has a molecular weight of 404.45 g/mol, XLogP of 0.86, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-2-[(3,5-dimethyl-1,2-oxazol-4-yl)sulfonylamino]-N-[(6-pyrazol-1-yl-3-pyridinyl)methyl]propanamide is sourced from PubChem (CID 55941346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).