[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

C21H24N4O2 — CID 44821512

IUPAC[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(C)c2c(C(=O)N3CCOCC3)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C21H24N4O2/c1-4-25-20-19(15(3)23-25)17(21(26)24-9-11-27-12-10-24)13-18(22-20)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyRFGFFSOJHHFHMA-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.21
Rot. Bonds3

About [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone

[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (PubChem CID 44821512) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
PubChem CID44821512
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone
SMILESCCn1nc(C)c2c(C(=O)N3CCOCC3)cc(-c3ccc(C)cc3)nc21
InChIInChI=1S/C21H24N4O2/c1-4-25-20-19(15(3)23-25)17(21(26)24-9-11-27-12-10-24)13-18(22-20)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3
InChIKeyRFGFFSOJHHFHMA-UHFFFAOYSA-N
XLogP3.21
TPSA60.25 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.45
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

Jqez5
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4-(5-((Pyridin-3-ylmethyl)amino)pyrazolo[1,5-a]pyrimidin-3-yl)benzamide
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N,N-diethyl-2-[2-[4-(3-fluoroprop-1-ynyl)phenyl]-5,7-dimethylpyrazolo[1,5-a]pyrimidin-3-yl]acetamide
CID 76314543
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Frequently Asked Questions

What is the IUPAC name of [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The IUPAC name of [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone (CID 44821512) is [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone.
What is the SMILES notation for [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The canonical SMILES for [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is CCn1nc(C)c2c(C(=O)N3CCOCC3)cc(-c3ccc(C)cc3)nc21.
What is the InChIKey of [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
The InChIKey is RFGFFSOJHHFHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-4-25-20-19(15(3)23-25)17(21(26)24-9-11-27-12-10-24)13-18(22-20)16-7-5-14(2)6-8-16/h5-8,13H,4,9-12H2,1-3H3.
What are the key properties of [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone?
[1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone has a molecular weight of 364.45 g/mol, XLogP of 3.21, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-ethyl-3-methyl-6-(4-methylphenyl)pyrazolo[5,4-b]pyridin-4-yl]-morpholin-4-ylmethanone is sourced from PubChem (CID 44821512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).