[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone

C19H21N5O2 — CID 124950048

IUPAC[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCN(C)c1cccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1
InChIInChI=1S/C19H21N5O2/c1-23(2)17-9-5-8-15(20-17)16-12-24(10-11-26-16)19(25)18-13-6-3-4-7-14(13)21-22-18/h3-9,16H,10-12H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyCYPRXHHYQONEQA-INIZCTEOSA-N
MW351.41 g/mol
LogP2.24
Rot. Bonds3

About [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone

[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone (PubChem CID 124950048) has the molecular formula C19H21N5O2 and a molecular weight of 351.41 g/mol. Its IUPAC name is [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone.

Molecular Properties

Compound Name[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
PubChem CID124950048
Molecular FormulaC19H21N5O2
Molecular Weight351.41 g/mol
Exact Mass351.17
IUPAC Name[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone
SMILESCN(C)c1cccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1
InChIInChI=1S/C19H21N5O2/c1-23(2)17-9-5-8-15(20-17)16-12-24(10-11-26-16)19(25)18-13-6-3-4-7-14(13)21-22-18/h3-9,16H,10-12H2,1-2H3,(H,21,22)/t16-/m0/s1
InChIKeyCYPRXHHYQONEQA-INIZCTEOSA-N
XLogP2.24
TPSA74.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(2S)-4-(1H-indazole-3-carbonyl)morpholin-2-yl]-2-methyl-1H-pyrimidin-6-one
CID 137106030
1H-indazol-3-yl-[(2S)-2-[3-(methylamino)pyrazin-2-yl]morpholin-4-yl]methanone
CID 125012972
[(2S)-2-(4-amino-6-methyl-2-pyridinyl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 124983966
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-thiophen-2-ylmethanone
CID 124997234
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
[2-(4-ethyl-1,2,4-triazol-3-yl)morpholin-4-yl]-(1H-indazol-3-yl)methanone
CID 128997573
[(2S)-2-[2-(dimethylamino)pyrimidin-4-yl]morpholin-4-yl]-(1H-indazol-4-yl)methanone
CID 129478452
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(5-methyl-3-pyridinyl)methanone
CID 110112057
1H-indazol-3-yl-[2-(phenoxymethyl)morpholin-4-yl]methanone
CID 170858480
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-propylpyrazol-3-yl)methanone
CID 124952383
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(3-fluoro-4-methoxyphenyl)methanone
CID 125016156

Frequently Asked Questions

What is the IUPAC name of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The IUPAC name of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone (CID 124950048) is [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone.
What is the SMILES notation for [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The canonical SMILES for [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone is CN(C)c1cccc([C@@H]2CN(C(=O)c3n[nH]c4ccccc34)CCO2)n1.
What is the InChIKey of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone?
The InChIKey is CYPRXHHYQONEQA-INIZCTEOSA-N. The full InChI is InChI=1S/C19H21N5O2/c1-23(2)17-9-5-8-15(20-17)16-12-24(10-11-26-16)19(25)18-13-6-3-4-7-14(13)21-22-18/h3-9,16H,10-12H2,1-2H3,(H,21,22)/t16-/m0/s1.
What are the key properties of [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone?
[(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone has a molecular weight of 351.41 g/mol, XLogP of 2.24, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [(2S)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1H-indazol-3-yl)methanone is sourced from PubChem (CID 124950048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).