8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline

C21H22N6 — CID 92566378

IUPAC8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
SMILESCn1nc(C2CCN(Cc3cccc4cccnc34)CC2)c2nccnc21
InChIInChI=1S/C21H22N6/c1-26-21-20(23-10-11-24-21)19(25-26)16-7-12-27(13-8-16)14-17-5-2-4-15-6-3-9-22-18(15)17/h2-6,9-11,16H,7-8,12-14H2,1H3
InChIKeyAAOXICULRIOUDK-UHFFFAOYSA-N
MW358.45 g/mol
LogP3.29
Rot. Bonds3

About 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline

8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline (PubChem CID 92566378) has the molecular formula C21H22N6 and a molecular weight of 358.45 g/mol. Its IUPAC name is 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline.

Molecular Properties

Compound Name8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
PubChem CID92566378
Molecular FormulaC21H22N6
Molecular Weight358.45 g/mol
Exact Mass358.19
IUPAC Name8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline
SMILESCn1nc(C2CCN(Cc3cccc4cccnc34)CC2)c2nccnc21
InChIInChI=1S/C21H22N6/c1-26-21-20(23-10-11-24-21)19(25-26)16-7-12-27(13-8-16)14-17-5-2-4-15-6-3-9-22-18(15)17/h2-6,9-11,16H,7-8,12-14H2,1H3
InChIKeyAAOXICULRIOUDK-UHFFFAOYSA-N
XLogP3.29
TPSA59.73 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.45
LogP ≤ 53.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline with MolForge

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Related Compounds

3-(1-ethylpiperidin-4-yl)-1-methylpyrazolo[3,4-b]pyrazine
CID 110089991
1-(quinolin-8-ylmethyl)piperidine-4-carbaldehyde
CID 62654466
8-[(5-methyl-1,4-diazepan-1-yl)methyl]quinoline
CID 81423173
3-[(3R)-1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-1-methylpyrazolo[3,4-b]pyrazine
CID 95855386
N'-hydroxy-1-(quinolin-8-ylmethyl)piperidine-4-carboximidamide
CID 77038510
8-(piperazin-1-ylmethyl)quinoline;dihydrochloride
CID 82025621
1-methyl-3-piperidin-4-ylpyrazolo[3,4-b]pyrazine
CID 66509746
8-[[4-(pyridin-2-ylmethyl)piperazin-1-yl]methyl]quinoline
CID 30385370
1-(quinolin-8-ylmethyl)pyrrolidine-3-carboxylic acid
CID 63031197
5-cyclopropyl-3-[[4-(quinolin-8-ylmethyl)piperazin-1-yl]methyl]-1,2,4-oxadiazole
CID 126806999
N-propyl-1-(quinolin-8-ylmethyl)pyrrolidin-3-amine
CID 81427742
2-(4-methylpiperidin-1-yl)-N-(quinolin-8-ylmethyl)ethanamine
CID 61239909

Frequently Asked Questions

What is the IUPAC name of 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline?
The IUPAC name of 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline (CID 92566378) is 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline.
What is the SMILES notation for 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline?
The canonical SMILES for 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline is Cn1nc(C2CCN(Cc3cccc4cccnc34)CC2)c2nccnc21.
What is the InChIKey of 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline?
The InChIKey is AAOXICULRIOUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N6/c1-26-21-20(23-10-11-24-21)19(25-26)16-7-12-27(13-8-16)14-17-5-2-4-15-6-3-9-22-18(15)17/h2-6,9-11,16H,7-8,12-14H2,1H3.
What are the key properties of 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline?
8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline has a molecular weight of 358.45 g/mol, XLogP of 3.29, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[[4-(1-methylpyrazolo[3,4-b]pyrazin-3-yl)piperidin-1-yl]methyl]quinoline is sourced from PubChem (CID 92566378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).