6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C22H21N9 — CID 45381122

IUPAC6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cnn(C6CCNCC6)c5)nc43)cc2c1
InChIInChI=1S/C22H21N9/c1-2-16-10-15(3-4-19(16)24-7-1)13-31-22-21(28-29-31)25-12-20(27-22)17-11-26-30(14-17)18-5-8-23-9-6-18/h1-4,7,10-12,14,18,23H,5-6,8-9,13H2
InChIKeyIFAQDDNLMPFIAG-UHFFFAOYSA-N
MW411.47 g/mol
LogP2.61
Rot. Bonds4

About 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 45381122) has the molecular formula C22H21N9 and a molecular weight of 411.47 g/mol. Its IUPAC name is 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID45381122
Molecular FormulaC22H21N9
Molecular Weight411.47 g/mol
Exact Mass411.19
IUPAC Name6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cnn(C6CCNCC6)c5)nc43)cc2c1
InChIInChI=1S/C22H21N9/c1-2-16-10-15(3-4-19(16)24-7-1)13-31-22-21(28-29-31)25-12-20(27-22)17-11-26-30(14-17)18-5-8-23-9-6-18/h1-4,7,10-12,14,18,23H,5-6,8-9,13H2
InChIKeyIFAQDDNLMPFIAG-UHFFFAOYSA-N
XLogP2.61
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.47
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 45381122) is 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ncc(-c5cnn(C6CCNCC6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is IFAQDDNLMPFIAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N9/c1-2-16-10-15(3-4-19(16)24-7-1)13-31-22-21(28-29-31)25-12-20(27-22)17-11-26-30(14-17)18-5-8-23-9-6-18/h1-4,7,10-12,14,18,23H,5-6,8-9,13H2.
What are the key properties of 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 411.47 g/mol, XLogP of 2.61, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 45381122), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).