(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone

C18H25N5O2 — CID 124969938

IUPAC(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)[nH]n3)CCO2)nc(C)n1
InChIInChI=1S/C18H25N5O2/c1-11-8-13(20-12(2)19-11)15-10-23(6-7-25-15)17(24)14-9-16(22-21-14)18(3,4)5/h8-9,15H,6-7,10H2,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyJMICPJAREWSZRU-HNNXBMFYSA-N
MW343.43 g/mol
LogP2.33
Rot. Bonds2

About (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone

(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone (PubChem CID 124969938) has the molecular formula C18H25N5O2 and a molecular weight of 343.43 g/mol. Its IUPAC name is (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone.

Molecular Properties

Compound Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
PubChem CID124969938
Molecular FormulaC18H25N5O2
Molecular Weight343.43 g/mol
Exact Mass343.20
IUPAC Name(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
SMILESCc1cc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)[nH]n3)CCO2)nc(C)n1
InChIInChI=1S/C18H25N5O2/c1-11-8-13(20-12(2)19-11)15-10-23(6-7-25-15)17(24)14-9-16(22-21-14)18(3,4)5/h8-9,15H,6-7,10H2,1-5H3,(H,21,22)/t15-/m0/s1
InChIKeyJMICPJAREWSZRU-HNNXBMFYSA-N
XLogP2.33
TPSA84.00 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500343.43
LogP ≤ 52.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(5-tert-butyl-1H-pyrazol-3-yl)-[(2R)-2-[6-(methylamino)-2-pyridinyl]morpholin-4-yl]methanone
CID 124992900
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-pyrazin-2-ylmorpholin-4-yl]methanone
CID 124939617
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-3-ylmethanone
CID 124967851
[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridazin-4-ylmethanone
CID 110115924
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(2,4-dimethyl-1,3-thiazol-5-yl)methanone
CID 124995524
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperidin-1-yl)methanone
CID 110856017
[(2R)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-pyridin-3-ylmethanone
CID 124948273
2,3-dihydro-1H-inden-5-yl-[2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 110115994
[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124987078
(5-tert-butyl-1H-pyrazol-3-yl)-(3,4-dimethylpyrrolidin-1-yl)methanone
CID 166216883
(5-tert-butyl-1H-pyrazol-3-yl)-(3-methylpiperazin-1-yl)methanone
CID 119580078
(2,6-dimethylpyrimidin-4-yl)-[2-(furan-2-yl)morpholin-4-yl]methanone
CID 136530433

Frequently Asked Questions

What is the IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
The IUPAC name of (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone (CID 124969938) is (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone.
What is the SMILES notation for (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
The canonical SMILES for (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone is Cc1cc([C@@H]2CN(C(=O)c3cc(C(C)(C)C)[nH]n3)CCO2)nc(C)n1.
What is the InChIKey of (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
The InChIKey is JMICPJAREWSZRU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N5O2/c1-11-8-13(20-12(2)19-11)15-10-23(6-7-25-15)17(24)14-9-16(22-21-14)18(3,4)5/h8-9,15H,6-7,10H2,1-5H3,(H,21,22)/t15-/m0/s1.
What are the key properties of (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone?
(5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone has a molecular weight of 343.43 g/mol, XLogP of 2.33, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-tert-butyl-1H-pyrazol-3-yl)-[(2S)-2-(2,6-dimethylpyrimidin-4-yl)morpholin-4-yl]methanone is sourced from PubChem (CID 124969938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).