N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide

C21H25N7O3 — CID 25138081

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide
SMILESCOc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)
InChIKeyCYCJQENBXNRINR-UHFFFAOYSA-N
MW423.48 g/mol
LogP1.62
Rot. Bonds6

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide (PubChem CID 25138081) has the molecular formula C21H25N7O3 and a molecular weight of 423.48 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide
PubChem CID25138081
Molecular FormulaC21H25N7O3
Molecular Weight423.48 g/mol
Exact Mass423.20
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide
SMILESCOc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29)
InChIKeyCYCJQENBXNRINR-UHFFFAOYSA-N
XLogP1.62
TPSA107.29 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500423.48
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide (CID 25138081) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide is COc1cncc(-c2cc(NC(=O)CN3CCOCC3)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide?
The InChIKey is CYCJQENBXNRINR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N7O3/c1-14-8-15(2)28(26-14)21-23-18(16-9-17(30-3)12-22-11-16)10-19(25-21)24-20(29)13-27-4-6-31-7-5-27/h8-12H,4-7,13H2,1-3H3,(H,23,24,25,29).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide has a molecular weight of 423.48 g/mol, XLogP of 1.62, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-(5-methoxy-3-pyridinyl)pyrimidin-4-yl]-2-morpholin-4-ylacetamide is sourced from PubChem (CID 25138081), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).