(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide

C18H25N7O2 — CID 129341515

IUPAC(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nn1C
InChIInChI=1S/C18H25N7O2/c1-13-11-16(22-23(13)2)21-18(26)25-9-10-27-15(12-25)14-5-6-19-17(20-14)24-7-3-4-8-24/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,21,22,26)/t15-/m0/s1
InChIKeyYYIUFSQOAWFQPU-HNNXBMFYSA-N
MW371.45 g/mol
LogP1.72
Rot. Bonds3

About (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide

(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide (PubChem CID 129341515) has the molecular formula C18H25N7O2 and a molecular weight of 371.45 g/mol. Its IUPAC name is (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide.

Molecular Properties

Compound Name(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
PubChem CID129341515
Molecular FormulaC18H25N7O2
Molecular Weight371.45 g/mol
Exact Mass371.21
IUPAC Name(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
SMILESCc1cc(NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nn1C
InChIInChI=1S/C18H25N7O2/c1-13-11-16(22-23(13)2)21-18(26)25-9-10-27-15(12-25)14-5-6-19-17(20-14)24-7-3-4-8-24/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,21,22,26)/t15-/m0/s1
InChIKeyYYIUFSQOAWFQPU-HNNXBMFYSA-N
XLogP1.72
TPSA88.41 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.45
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

(5-methyl-1,2-oxazol-3-yl)-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129334104
N-(1-methyl-2-oxopyrrolidin-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128990958
6-methyl-4-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]-1H-pyrimidin-2-one
CID 128993964
N-[(5-methyl-1H-pyrazol-4-yl)methyl]-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide
CID 128992772
4-methyl-2-[2-oxo-2-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]ethyl]-1,2,4-triazol-3-one
CID 128995763
(5-propan-2-yl-1H-pyrazol-3-yl)-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129331728
(2R)-2-[2-(dimethylamino)pyrimidin-4-yl]-N-(4-methyl-2-pyridinyl)morpholine-4-carboxamide
CID 129477542
[(1R,2R)-2-cyclopropylcyclopropyl]-[(2R)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 129338509
(2R)-1-[(2S)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]-2-thiophen-2-ylpropan-1-one
CID 129340939
3-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carbonyl]benzonitrile
CID 128974450
N-(1,5-dimethylpyrazol-3-yl)-3-[(2-pyrrolidin-1-yl-3-pyridinyl)oxy]pyrrolidine-1-carboxamide
CID 129006000
1-benzofuran-3-yl-[2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 128967255

Frequently Asked Questions

What is the IUPAC name of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The IUPAC name of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide (CID 129341515) is (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide.
What is the SMILES notation for (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The canonical SMILES for (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide is Cc1cc(NC(=O)N2CCO[C@H](c3ccnc(N4CCCC4)n3)C2)nn1C.
What is the InChIKey of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
The InChIKey is YYIUFSQOAWFQPU-HNNXBMFYSA-N. The full InChI is InChI=1S/C18H25N7O2/c1-13-11-16(22-23(13)2)21-18(26)25-9-10-27-15(12-25)14-5-6-19-17(20-14)24-7-3-4-8-24/h5-6,11,15H,3-4,7-10,12H2,1-2H3,(H,21,22,26)/t15-/m0/s1.
What are the key properties of (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide?
(2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide has a molecular weight of 371.45 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-N-(1,5-dimethylpyrazol-3-yl)-2-(2-pyrrolidin-1-ylpyrimidin-4-yl)morpholine-4-carboxamide is sourced from PubChem (CID 129341515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).