[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

C16H21N5O2 — CID 95847868

IUPAC[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C)c1ccc([C@H]2CN(C(=O)c3ccnn3C)CCO2)nc1
InChIInChI=1S/C16H21N5O2/c1-19(2)12-4-5-13(17-10-12)15-11-21(8-9-23-15)16(22)14-6-7-18-20(14)3/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyCSBBLEFLDQGKEP-OAHLLOKOSA-N
MW315.38 g/mol
LogP1.09
Rot. Bonds3

About [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone

[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (PubChem CID 95847868) has the molecular formula C16H21N5O2 and a molecular weight of 315.38 g/mol. Its IUPAC name is [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.

Molecular Properties

Compound Name[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
PubChem CID95847868
Molecular FormulaC16H21N5O2
Molecular Weight315.38 g/mol
Exact Mass315.17
IUPAC Name[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
SMILESCN(C)c1ccc([C@H]2CN(C(=O)c3ccnn3C)CCO2)nc1
InChIInChI=1S/C16H21N5O2/c1-19(2)12-4-5-13(17-10-12)15-11-21(8-9-23-15)16(22)14-6-7-18-20(14)3/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m1/s1
InChIKeyCSBBLEFLDQGKEP-OAHLLOKOSA-N
XLogP1.09
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.38
LogP ≤ 51.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 95847898
[2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(1-methylpyrazol-4-yl)methanone
CID 110097811
[2-(1-aminoethyl)morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 81485227
N'-hydroxy-4-(2-methylpyrazole-3-carbonyl)morpholine-2-carboximidamide
CID 79680892
[(2S)-2-[5-[2-(2-chlorophenoxy)ethyl]-1H-pyrazol-3-yl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone
CID 124944986
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-[(2-methylpyrazol-3-yl)methyl]morpholine-4-carboxamide
CID 129473669
(2-methylpyrazol-3-yl)-[3-(1,2,4-oxadiazol-3-yl)pyrrolidin-1-yl]methanone
CID 121019588
[(2R)-2-[6-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 125008999
[2-[5-(methylamino)-2-pyridinyl]morpholin-4-yl]-pyrazin-2-ylmethanone
CID 110271985
[(3S)-3-methylpiperazin-1-yl]-(2-methylpyrazol-3-yl)methanone
CID 81428793
(3R)-1-(2-methylpyrazole-3-carbonyl)pyrrolidine-3-carboxylic acid
CID 94917576
(1-methylpyrazolo[4,5-b]pyridin-6-yl)-(2-pyridin-2-ylmorpholin-4-yl)methanone
CID 157018438

Frequently Asked Questions

What is the IUPAC name of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The IUPAC name of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone (CID 95847868) is [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone.
What is the SMILES notation for [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The canonical SMILES for [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is CN(C)c1ccc([C@H]2CN(C(=O)c3ccnn3C)CCO2)nc1.
What is the InChIKey of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
The InChIKey is CSBBLEFLDQGKEP-OAHLLOKOSA-N. The full InChI is InChI=1S/C16H21N5O2/c1-19(2)12-4-5-13(17-10-12)15-11-21(8-9-23-15)16(22)14-6-7-18-20(14)3/h4-7,10,15H,8-9,11H2,1-3H3/t15-/m1/s1.
What are the key properties of [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone?
[(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone has a molecular weight of 315.38 g/mol, XLogP of 1.09, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [(2R)-2-[5-(dimethylamino)-2-pyridinyl]morpholin-4-yl]-(2-methylpyrazol-3-yl)methanone is sourced from PubChem (CID 95847868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).