N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide

C19H22N6O3 — CID 25138080

IUPACN-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26)
InChIKeyLHFROBFAPLSYRB-UHFFFAOYSA-N
MW382.42 g/mol
LogP2.32
Rot. Bonds7

About N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide

N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide (PubChem CID 25138080) has the molecular formula C19H22N6O3 and a molecular weight of 382.42 g/mol. Its IUPAC name is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide.

Molecular Properties

Compound NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide
PubChem CID25138080
Molecular FormulaC19H22N6O3
Molecular Weight382.42 g/mol
Exact Mass382.18
IUPAC NameN-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide
SMILESCOCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1
InChIInChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26)
InChIKeyLHFROBFAPLSYRB-UHFFFAOYSA-N
XLogP2.32
TPSA104.05 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.42
LogP ≤ 52.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

Pimicotinib
CID 139549388
1-(3-(tert-butyl)-1-(p-tolyl)-1H-pyrazol-5-yl)-3-(3-((pyridin-3-yloxy)methyl)-1H-pyrazol-5-yl)urea
CID 25203958
2-[1-[(4-ethoxy-2,6-difluorophenyl)methyl]-5,6-dihydro-4H-cyclopenta[c]pyrazol-3-yl]-5-methoxy-N-pyridin-4-ylpyrimidin-4-amine
CID 72202254
2,2-dimethyl-N-[(6-methyl-5-{[2-(1-methyl-1H-pyrazol-4-yl)pyridin-4-yl]oxy}pyridin-2-yl)carbamoyl]propanamide
CID 86270079
2-(2-(6-methylpyridin-3-yloxy)ethylamino)-6-(5-methyl-1H-pyrazol-3-ylamino)-4-methylnicotinonitrile
CID 67098566
N-[5-[[2-(1-methylpyrazol-4-yl)-4-pyridinyl]oxy]-2-pyridinyl]-5-oxo-6-azaspiro[3.4]octane-6-carboxamide
CID 146267978
(7R,11S)-8-ethyl-3-methoxy-7-methyl-11-(3,3,3-trifluoropropyl)-14,17-dioxa-5,8,10,19,20,25-hexazatetracyclo[16.6.1.12,6.019,23]hexacosa-1(24),2(26),3,5,18(25),20,22-heptaen-9-one
CID 163278998
4-[5-(2-methoxyethoxy)pyrazolo[1,5-b]pyridazin-3-yl]-N-(3-methoxyphenyl)pyrimidin-2-amine
CID 6539449
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138078
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-hydroxypyridin-3-yl)pyrimidin-4-yl]acetamide
CID 25138079
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]-2-(morpholin-4-yl)acetamide
CID 25138081
N-[2-(3,5-dimethyl-1H-pyrazol-1-yl)-6-(5-methoxypyridin-3-yl)pyrimidin-4-yl]propanamide
CID 25138082

Frequently Asked Questions

What is the IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
The IUPAC name of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide (CID 25138080) is N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide.
What is the SMILES notation for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
The canonical SMILES for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide is COCCOc1cncc(-c2cc(NC(C)=O)nc(-n3nc(C)cc3C)n2)c1.
What is the InChIKey of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
The InChIKey is LHFROBFAPLSYRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3/c1-12-7-13(2)25(24-12)19-22-17(9-18(23-19)21-14(3)26)15-8-16(11-20-10-15)28-6-5-27-4/h7-11H,5-6H2,1-4H3,(H,21,22,23,26).
What are the key properties of N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide?
N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide has a molecular weight of 382.42 g/mol, XLogP of 2.32, 7 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(3,5-dimethylpyrazol-1-yl)-6-[5-(2-methoxyethoxy)-3-pyridinyl]pyrimidin-4-yl]acetamide is sourced from PubChem (CID 25138080), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).