methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate

C17H20N6O3 — CID 166926752

IUPACmethyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCOC(=O)c1ncn2c(N3CCOC[C@H]3C)cc(-c3ccnn3C)nc12
InChIInChI=1S/C17H20N6O3/c1-11-9-26-7-6-22(11)14-8-12(13-4-5-19-21(13)2)20-16-15(17(24)25-3)18-10-23(14)16/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyPWPQQHRODOQSKZ-LLVKDONJSA-N
MW356.39 g/mol
LogP1.14
Rot. Bonds3

About methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate

methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate (PubChem CID 166926752) has the molecular formula C17H20N6O3 and a molecular weight of 356.39 g/mol. Its IUPAC name is methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
PubChem CID166926752
Molecular FormulaC17H20N6O3
Molecular Weight356.39 g/mol
Exact Mass356.16
IUPAC Namemethyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate
SMILESCOC(=O)c1ncn2c(N3CCOC[C@H]3C)cc(-c3ccnn3C)nc12
InChIInChI=1S/C17H20N6O3/c1-11-9-26-7-6-22(11)14-8-12(13-4-5-19-21(13)2)20-16-15(17(24)25-3)18-10-23(14)16/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1
InChIKeyPWPQQHRODOQSKZ-LLVKDONJSA-N
XLogP1.14
TPSA86.78 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.39
LogP ≤ 51.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

1-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)pyridazin-3-yl]ethanone
CID 170928633
methyl 2-methyl-6-(3-methylmorpholin-4-yl)pyridine-3-carboxylate
CID 133418545
(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]morpholine
CID 155654954
(3R)-4-[3-chloro-7-(2-methylpyrazol-3-yl)-2H-pyrazolo[4,3-b]pyridin-5-yl]-3-methylmorpholine
CID 175136170
(3R)-4-[5-fluoro-4,7-bis(2-methylpyrazol-3-yl)imidazo[1,5-b]pyridazin-2-yl]-3-methylmorpholine
CID 170224825
methyl 5-[(3R)-3-methylmorpholin-4-yl]-1H-pyrazolo[4,5-b]pyridine-7-carboxylate
CID 151820966
N-[6-[(3R)-3-methylmorpholin-4-yl]-4-(2-methylpyrazol-3-yl)-1-(1H-pyrazol-5-yl)pyrazolo[5,4-b]pyridin-3-yl]cyclopropanecarboxamide
CID 178015819
3-methyl-4-[8-(2-methylpyrazol-3-yl)-3-(1H-pyrazol-5-yl)imidazo[1,2-a]pyridin-6-yl]morpholine
CID 155454334
methyl 5-(methylamino)-6-(3-methylimidazo[4,5-c]pyridin-7-yl)-3-[[5-methyl-6-[(3S)-3-methylmorpholin-4-yl]-3-pyridinyl]amino]pyrazine-2-carboxylate
CID 166484925
3-[3-[(3R)-3-methylmorpholin-4-yl]-5-(2-methylpyrazol-3-yl)-1,6-dihydropyridazin-6-yl]-1-(1H-pyrazol-5-yl)propan-1-one
CID 167660757
N-[4-[2,4-bis(3-methylmorpholin-4-yl)pyrido[2,3-d]pyrimidin-7-yl]-2-pyridinyl]acetamide
CID 66673423
methyl 2-[(3S)-3-methylmorpholin-4-yl]-1,3-benzoxazole-4-carboxylate
CID 66873859

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The IUPAC name of methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate (CID 166926752) is methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate.
What is the SMILES notation for methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The canonical SMILES for methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate is COC(=O)c1ncn2c(N3CCOC[C@H]3C)cc(-c3ccnn3C)nc12.
What is the InChIKey of methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
The InChIKey is PWPQQHRODOQSKZ-LLVKDONJSA-N. The full InChI is InChI=1S/C17H20N6O3/c1-11-9-26-7-6-22(11)14-8-12(13-4-5-19-21(13)2)20-16-15(17(24)25-3)18-10-23(14)16/h4-5,8,10-11H,6-7,9H2,1-3H3/t11-/m1/s1.
What are the key properties of methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate?
methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate has a molecular weight of 356.39 g/mol, XLogP of 1.14, 3 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(3R)-3-methylmorpholin-4-yl]-2-(2-methylpyrazol-3-yl)imidazo[1,5-a]pyrimidine-8-carboxylate is sourced from PubChem (CID 166926752), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).