4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride

C22H25ClN8O — CID 24884478

IUPAC4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride
SMILESCl.c1cnc2ccc(Cn3nnc4ncc(N5CCC(N6CCOCC6)C5)nc43)cc2c1
InChIInChI=1S/C22H24N8O.ClH/c1-2-17-12-16(3-4-19(17)23-6-1)14-30-22-21(26-27-30)24-13-20(25-22)29-7-5-18(15-29)28-8-10-31-11-9-28;/h1-4,6,12-13,18H,5,7-11,14-15H2;1H
InChIKeyLVUAOJBFQCUNKD-UHFFFAOYSA-N
MW452.95 g/mol
LogP2.15
Rot. Bonds4

About 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride

4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride (PubChem CID 24884478) has the molecular formula C22H25ClN8O and a molecular weight of 452.95 g/mol. Its IUPAC name is 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride.

Molecular Properties

Compound Name4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride
PubChem CID24884478
Molecular FormulaC22H25ClN8O
Molecular Weight452.95 g/mol
Exact Mass452.18
IUPAC Name4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride
SMILESCl.c1cnc2ccc(Cn3nnc4ncc(N5CCC(N6CCOCC6)C5)nc43)cc2c1
InChIInChI=1S/C22H24N8O.ClH/c1-2-17-12-16(3-4-19(17)23-6-1)14-30-22-21(26-27-30)24-13-20(25-22)29-7-5-18(15-29)28-8-10-31-11-9-28;/h1-4,6,12-13,18H,5,7-11,14-15H2;1H
InChIKeyLVUAOJBFQCUNKD-UHFFFAOYSA-N
XLogP2.15
TPSA85.09 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.95
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

Analyze 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride with MolForge

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Related Compounds

1-[(3S)-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]piperidin-4-ol
CID 59341935
4-[6-[[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]methyl]-3-pyridinyl]morpholine
CID 147879203
tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-3-yl]carbamate
CID 67457605
tert-butyl N-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]piperidin-4-yl]carbamate
CID 59341957
3-[(dimethylamino)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
CID 59341810
3-amino-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidine-3-carboxamide
CID 59341952
6-[[5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)triazolo[4,5-b]pyrazin-3-yl]methyl]quinoline
CID 156790144
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanol
CID 59341838
(3R)-1-[3-(2,3-dihydro-1-benzofuran-5-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-amine
CID 59341805
3-[(2-methylimidazol-1-yl)methyl]-1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-ol
CID 59341954
1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]ethanamine
CID 59341949
2-[[5-[(3S)-3-(4,4-difluoropiperidin-1-yl)pyrrolidin-1-yl]triazolo[4,5-b]pyrazin-3-yl]methyl]benzene-1,4-diol
CID 67455984

Frequently Asked Questions

What is the IUPAC name of 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride?
The IUPAC name of 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride (CID 24884478) is 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride.
What is the SMILES notation for 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride?
The canonical SMILES for 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride is Cl.c1cnc2ccc(Cn3nnc4ncc(N5CCC(N6CCOCC6)C5)nc43)cc2c1.
What is the InChIKey of 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride?
The InChIKey is LVUAOJBFQCUNKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N8O.ClH/c1-2-17-12-16(3-4-19(17)23-6-1)14-30-22-21(26-27-30)24-13-20(25-22)29-7-5-18(15-29)28-8-10-31-11-9-28;/h1-4,6,12-13,18H,5,7-11,14-15H2;1H.
What are the key properties of 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride?
4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride has a molecular weight of 452.95 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyrazin-5-yl]pyrrolidin-3-yl]morpholine;hydrochloride is sourced from PubChem (CID 24884478), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).