1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile

C21H21N5O2 — CID 134802246

IUPAC1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(C#N)CC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C21H21N5O2/c1-25-20-18(13-23-25)17(21(27)26-8-6-14(12-22)7-9-26)11-19(24-20)15-4-3-5-16(10-15)28-2/h3-5,10-11,13-14H,6-9H2,1-2H3
InChIKeyKJSYQKCGMWGJTD-UHFFFAOYSA-N
MW375.43 g/mol
LogP3.02
Rot. Bonds3

About 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile

1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile (PubChem CID 134802246) has the molecular formula C21H21N5O2 and a molecular weight of 375.43 g/mol. Its IUPAC name is 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile.

Molecular Properties

Compound Name1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile
PubChem CID134802246
Molecular FormulaC21H21N5O2
Molecular Weight375.43 g/mol
Exact Mass375.17
IUPAC Name1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile
SMILESCOc1cccc(-c2cc(C(=O)N3CCC(C#N)CC3)c3cnn(C)c3n2)c1
InChIInChI=1S/C21H21N5O2/c1-25-20-18(13-23-25)17(21(27)26-8-6-14(12-22)7-9-26)11-19(24-20)15-4-3-5-16(10-15)28-2/h3-5,10-11,13-14H,6-9H2,1-2H3
InChIKeyKJSYQKCGMWGJTD-UHFFFAOYSA-N
XLogP3.02
TPSA84.04 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile?
The IUPAC name of 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile (CID 134802246) is 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile.
What is the SMILES notation for 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile?
The canonical SMILES for 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile is COc1cccc(-c2cc(C(=O)N3CCC(C#N)CC3)c3cnn(C)c3n2)c1.
What is the InChIKey of 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile?
The InChIKey is KJSYQKCGMWGJTD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N5O2/c1-25-20-18(13-23-25)17(21(27)26-8-6-14(12-22)7-9-26)11-19(24-20)15-4-3-5-16(10-15)28-2/h3-5,10-11,13-14H,6-9H2,1-2H3.
What are the key properties of 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile?
1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile has a molecular weight of 375.43 g/mol, XLogP of 3.02, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(3-methoxyphenyl)-1-methylpyrazolo[5,4-b]pyridine-4-carbonyl]piperidine-4-carbonitrile is sourced from PubChem (CID 134802246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).