6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride

C22H21ClN8 — CID 66995540

IUPAC6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride
SMILESCl.c1cnc2ccc(Cn3nnc4ccc(-c5cnn([C@H]6CCNC6)c5)nc43)cc2c1
InChIInChI=1S/C22H20N8.ClH/c1-2-16-10-15(3-4-19(16)24-8-1)13-30-22-21(27-28-30)6-5-20(26-22)17-11-25-29(14-17)18-7-9-23-12-18;/h1-6,8,10-11,14,18,23H,7,9,12-13H2;1H/t18-;/m0./s1
InChIKeyKAHHADLNMIZCIU-FERBBOLQSA-N
MW432.92 g/mol
LogP3.24
Rot. Bonds4

About 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride

6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride (PubChem CID 66995540) has the molecular formula C22H21ClN8 and a molecular weight of 432.92 g/mol. Its IUPAC name is 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride.

Molecular Properties

Compound Name6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride
PubChem CID66995540
Molecular FormulaC22H21ClN8
Molecular Weight432.92 g/mol
Exact Mass432.16
IUPAC Name6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride
SMILESCl.c1cnc2ccc(Cn3nnc4ccc(-c5cnn([C@H]6CCNC6)c5)nc43)cc2c1
InChIInChI=1S/C22H20N8.ClH/c1-2-16-10-15(3-4-19(16)24-8-1)13-30-22-21(27-28-30)6-5-20(26-22)17-11-25-29(14-17)18-7-9-23-12-18;/h1-6,8,10-11,14,18,23H,7,9,12-13H2;1H/t18-;/m0./s1
InChIKeyKAHHADLNMIZCIU-FERBBOLQSA-N
XLogP3.24
TPSA86.34 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500432.92
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride with MolForge

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Related Compounds

6-[[5-(1-piperidin-4-ylpyrazol-4-yl)triazolo[4,5-b]pyridin-3-yl]methyl]-1H-quinolin-2-one
CID 140912006
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-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-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514805
6-[[2-(1-piperidin-4-ylpyrazol-4-yl)imidazo[1,2-b][1,2,4]triazin-7-yl]methyl]quinoline
CID 67224038
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
CID 54760085
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910
(3-hydroxypyrrolidin-1-yl)-[4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methanone
CID 66995253

Frequently Asked Questions

What is the IUPAC name of 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride?
The IUPAC name of 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride (CID 66995540) is 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride.
What is the SMILES notation for 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride?
The canonical SMILES for 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride is Cl.c1cnc2ccc(Cn3nnc4ccc(-c5cnn([C@H]6CCNC6)c5)nc43)cc2c1.
What is the InChIKey of 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride?
The InChIKey is KAHHADLNMIZCIU-FERBBOLQSA-N. The full InChI is InChI=1S/C22H20N8.ClH/c1-2-16-10-15(3-4-19(16)24-8-1)13-30-22-21(27-28-30)6-5-20(26-22)17-11-25-29(14-17)18-7-9-23-12-18;/h1-6,8,10-11,14,18,23H,7,9,12-13H2;1H/t18-;/m0./s1.
What are the key properties of 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride?
6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride has a molecular weight of 432.92 g/mol, XLogP of 3.24, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[[5-[1-[(3S)-pyrrolidin-3-yl]pyrazol-4-yl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline;hydrochloride is sourced from PubChem (CID 66995540), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).