[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

C18H18N6O2 — CID 110115882

IUPAC[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCc1nccc(C2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1
InChIInChI=1S/C18H18N6O2/c1-13-19-7-5-15(22-13)16-12-23(9-10-26-16)18(25)14-3-4-17(20-11-14)24-8-2-6-21-24/h2-8,11,16H,9-10,12H2,1H3
InChIKeySXLQDAWQKXNNSC-UHFFFAOYSA-N
MW350.38 g/mol
LogP1.58
Rot. Bonds3

About [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone

[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (PubChem CID 110115882) has the molecular formula C18H18N6O2 and a molecular weight of 350.38 g/mol. Its IUPAC name is [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.

Molecular Properties

Compound Name[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
PubChem CID110115882
Molecular FormulaC18H18N6O2
Molecular Weight350.38 g/mol
Exact Mass350.15
IUPAC Name[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
SMILESCc1nccc(C2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1
InChIInChI=1S/C18H18N6O2/c1-13-19-7-5-15(22-13)16-12-23(9-10-26-16)18(25)14-3-4-17(20-11-14)24-8-2-6-21-24/h2-8,11,16H,9-10,12H2,1H3
InChIKeySXLQDAWQKXNNSC-UHFFFAOYSA-N
XLogP1.58
TPSA86.03 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(2,4-dimethylpyrimidin-5-yl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956680
(3-methylpiperidin-1-yl)-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 53014451
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyridin-2-ylmethanone
CID 125024334
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110115860
1,3-benzodioxol-5-yl-[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 125018775
[3-(4-methylpyrimidin-2-yl)pyrrolidin-1-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone
CID 127246620
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-pyrazin-2-ylmethanone
CID 95845102
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5,6,7,8-tetrahydronaphthalen-2-yl)methanone
CID 124968695
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1H-pyrazol-5-yl)methanone
CID 124993182
(3-methyl-2-pyridinyl)-[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]methanone
CID 124956752
[(2S)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(1,3-thiazol-5-yl)methanone
CID 124977291
[(2R)-2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(5-propan-2-ylthiophen-3-yl)methanone
CID 125022866

Frequently Asked Questions

What is the IUPAC name of [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The IUPAC name of [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone (CID 110115882) is [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone.
What is the SMILES notation for [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The canonical SMILES for [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is Cc1nccc(C2CN(C(=O)c3ccc(-n4cccn4)nc3)CCO2)n1.
What is the InChIKey of [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
The InChIKey is SXLQDAWQKXNNSC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N6O2/c1-13-19-7-5-15(22-13)16-12-23(9-10-26-16)18(25)14-3-4-17(20-11-14)24-8-2-6-21-24/h2-8,11,16H,9-10,12H2,1H3.
What are the key properties of [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone?
[2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone has a molecular weight of 350.38 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(2-methylpyrimidin-4-yl)morpholin-4-yl]-(6-pyrazol-1-yl-3-pyridinyl)methanone is sourced from PubChem (CID 110115882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).