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

C21H19N9 — CID 67455704

IUPAC6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cnn([C@@H]6CCNC6)c5)nc43)cc2c1
InChIInChI=1S/C21H19N9/c1-2-15-8-14(3-4-18(15)23-6-1)12-30-21-20(27-28-30)24-11-19(26-21)16-9-25-29(13-16)17-5-7-22-10-17/h1-4,6,8-9,11,13,17,22H,5,7,10,12H2/t17-/m1/s1
InChIKeyAPDIXVQXPVLGGS-QGZVFWFLSA-N
MW397.45 g/mol
LogP2.22
Rot. Bonds4

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

6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (PubChem CID 67455704) has the molecular formula C21H19N9 and a molecular weight of 397.45 g/mol. Its IUPAC name is 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.

Molecular Properties

Compound Name6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
PubChem CID67455704
Molecular FormulaC21H19N9
Molecular Weight397.45 g/mol
Exact Mass397.18
IUPAC Name6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
SMILESc1cnc2ccc(Cn3nnc4ncc(-c5cnn([C@@H]6CCNC6)c5)nc43)cc2c1
InChIInChI=1S/C21H19N9/c1-2-15-8-14(3-4-18(15)23-6-1)12-30-21-20(27-28-30)24-11-19(26-21)16-9-25-29(13-16)17-5-7-22-10-17/h1-4,6,8-9,11,13,17,22H,5,7,10,12H2/t17-/m1/s1
InChIKeyAPDIXVQXPVLGGS-QGZVFWFLSA-N
XLogP2.22
TPSA99.23 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500397.45
LogP ≤ 52.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The IUPAC name of 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline (CID 67455704) is 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline.
What is the SMILES notation for 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The canonical SMILES for 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is c1cnc2ccc(Cn3nnc4ncc(-c5cnn([C@@H]6CCNC6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
The InChIKey is APDIXVQXPVLGGS-QGZVFWFLSA-N. The full InChI is InChI=1S/C21H19N9/c1-2-15-8-14(3-4-18(15)23-6-1)12-30-21-20(27-28-30)24-11-19(26-21)16-9-25-29(13-16)17-5-7-22-10-17/h1-4,6,8-9,11,13,17,22H,5,7,10,12H2/t17-/m1/s1.
What are the key properties of 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline?
6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline has a molecular weight of 397.45 g/mol, XLogP of 2.22, 4 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-[(3R)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline is sourced from PubChem (CID 67455704), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).