[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone

C21H24N4O2 — CID 44822715

IUPAC[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-5-4-10-25(13-14)21(26)17-11-19(15-6-8-16(27-3)9-7-15)23-20-18(17)12-22-24(20)2/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKeyCMWZLLGEAVVSFM-UHFFFAOYSA-N
MW364.45 g/mol
LogP3.52
Rot. Bonds3

About [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone

[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone (PubChem CID 44822715) has the molecular formula C21H24N4O2 and a molecular weight of 364.45 g/mol. Its IUPAC name is [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone.

Molecular Properties

Compound Name[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
PubChem CID44822715
Molecular FormulaC21H24N4O2
Molecular Weight364.45 g/mol
Exact Mass364.19
IUPAC Name[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone
SMILESCOc1ccc(-c2cc(C(=O)N3CCCC(C)C3)c3cnn(C)c3n2)cc1
InChIInChI=1S/C21H24N4O2/c1-14-5-4-10-25(13-14)21(26)17-11-19(15-6-8-16(27-3)9-7-15)23-20-18(17)12-22-24(20)2/h6-9,11-12,14H,4-5,10,13H2,1-3H3
InChIKeyCMWZLLGEAVVSFM-UHFFFAOYSA-N
XLogP3.52
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 ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The IUPAC name of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone (CID 44822715) is [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone.
What is the SMILES notation for [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The canonical SMILES for [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone is COc1ccc(-c2cc(C(=O)N3CCCC(C)C3)c3cnn(C)c3n2)cc1.
What is the InChIKey of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
The InChIKey is CMWZLLGEAVVSFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N4O2/c1-14-5-4-10-25(13-14)21(26)17-11-19(15-6-8-16(27-3)9-7-15)23-20-18(17)12-22-24(20)2/h6-9,11-12,14H,4-5,10,13H2,1-3H3.
What are the key properties of [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone?
[6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone has a molecular weight of 364.45 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [6-(4-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridin-4-yl]-(3-methylpiperidin-1-yl)methanone is sourced from PubChem (CID 44822715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).