6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

C23H23N9 — CID 59341868

IUPAC6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cnn(CCN6CCCC6)c5)nc43)cc2c1
InChIInChI=1S/C23H23N9/c1-2-9-30(8-1)10-11-31-16-19(13-26-31)21-14-25-22-23(27-21)32(29-28-22)15-17-5-6-20-18(12-17)4-3-7-24-20/h3-7,12-14,16H,1-2,8-11,15H2
InChIKeyTZEHZNXZLKHMQY-UHFFFAOYSA-N
MW425.50 g/mol
LogP2.78
Rot. Bonds6

About 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline

6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 59341868) has the molecular formula C23H23N9 and a molecular weight of 425.50 g/mol. Its IUPAC name is 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID59341868
Molecular FormulaC23H23N9
Molecular Weight425.50 g/mol
Exact Mass425.21
IUPAC Name6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cnn(CCN6CCCC6)c5)nc43)cc2c1
InChIInChI=1S/C23H23N9/c1-2-9-30(8-1)10-11-31-16-19(13-26-31)21-14-25-22-23(27-21)32(29-28-22)15-17-5-6-20-18(12-17)4-3-7-24-20/h3-7,12-14,16H,1-2,8-11,15H2
InChIKeyTZEHZNXZLKHMQY-UHFFFAOYSA-N
XLogP2.78
TPSA90.44 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.50
LogP ≤ 52.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

methanesulfonic acid;2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrazol-1-yl]ethanol
CID 24852079
1-pyrrolidin-1-yl-2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]ethanone
CID 58514905
6-[[5-(3-methoxyphenyl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24851840
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 24852078
6-[[5-(1-methylpyrazol-4-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinazoline
CID 59341841
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-ol
CID 53262064
1-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]pyrazol-1-yl]propan-2-one
CID 58514893
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
2-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]-1H-pyrazol-5-yl]ethanol
CID 67455909
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethylidenehydrazine
CID 78153634
3-phenyl-6-[(5-phenyltriazolo[4,5-b]pyrazin-3-yl)methyl]quinoline
CID 86566655

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 59341868) is 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ncc(-c5cnn(CCN6CCCC6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is TZEHZNXZLKHMQY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N9/c1-2-9-30(8-1)10-11-31-16-19(13-26-31)21-14-25-22-23(27-21)32(29-28-22)15-17-5-6-20-18(12-17)4-3-7-24-20/h3-7,12-14,16H,1-2,8-11,15H2.
What are the key properties of 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 425.50 g/mol, XLogP of 2.78, 6 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-(2-pyrrolidin-1-ylethyl)pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 59341868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).