[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone

C18H20N6O2 — CID 129478452

IUPAC[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
SMILESCN(C)c1nccc([C@@H]2CN(C(=O)c3cccc4[nH]ncc34)CCO2)n1
InChIInChI=1S/C18H20N6O2/c1-23(2)18-19-7-6-15(21-18)16-11-24(8-9-26-16)17(25)12-4-3-5-14-13(12)10-20-22-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyCUSYBCNBWLYLEX-INIZCTEOSA-N
MW352.40 g/mol
LogP1.63
Rot. Bonds3

About [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone

[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone (PubChem CID 129478452) has the molecular formula C18H20N6O2 and a molecular weight of 352.40 g/mol. Its IUPAC name is [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
PubChem CID129478452
Molecular FormulaC18H20N6O2
Molecular Weight352.40 g/mol
Exact Mass352.16
IUPAC Name[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
SMILESCN(C)c1nccc([C@@H]2CN(C(=O)c3cccc4[nH]ncc34)CCO2)n1
InChIInChI=1S/C18H20N6O2/c1-23(2)18-19-7-6-15(21-18)16-11-24(8-9-26-16)17(25)12-4-3-5-14-13(12)10-20-22-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,20,22)/t16-/m0/s1
InChIKeyCUSYBCNBWLYLEX-INIZCTEOSA-N
XLogP1.63
TPSA87.24 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.40
LogP ≤ 51.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-4-pyridinyl)methanone
CID 128971349
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,4-dimethylpyrimidin-5-yl)methanone
CID 129478934
(3-chloro-4-pyridinyl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128964934
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(3-ethyl-1-methylpyrazol-4-yl)methanone
CID 128974121
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124950048
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-pyrrol-3-yl)methanone
CID 128964952
[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1,4,5,6-tetrahydrocyclopenta[d]pyrazol-3-yl)methanone
CID 128964973
1-[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]propan-1-one
CID 129479017
(4-chloro-1H-pyrrol-2-yl)-[2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]methanone
CID 128971704
[(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(2,6-dimethylpyrimidin-4-yl)methanone
CID 129328387
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-[(1R,2R)-2-phenylcyclopropyl]methanone
CID 129332793
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-quinolin-5-ylmethanone
CID 124966222

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone?
The IUPAC name of [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone (CID 129478452) is [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone.
What is the SMILES notation for [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone?
The canonical SMILES for [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone is CN(C)c1nccc([C@@H]2CN(C(=O)c3cccc4[nH]ncc34)CCO2)n1.
What is the InChIKey of [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone?
The InChIKey is CUSYBCNBWLYLEX-INIZCTEOSA-N. The full InChI is InChI=1S/C18H20N6O2/c1-23(2)18-19-7-6-15(21-18)16-11-24(8-9-26-16)17(25)12-4-3-5-14-13(12)10-20-22-14/h3-7,10,16H,8-9,11H2,1-2H3,(H,20,22)/t16-/m0/s1.
What are the key properties of [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone?
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone has a molecular weight of 352.40 g/mol, XLogP of 1.63, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone is sourced from PubChem (CID 129478452), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).