2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide

C22H14F2N6O — CID 135353659

IUPAC2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESNC(=O)c1c(F)cc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F
InChIInChI=1S/C22H14F2N6O/c23-15-9-14(10-16(24)19(15)21(25)31)17-6-7-18-22(27-17)30(29-28-18)11-13-4-1-3-12-5-2-8-26-20(12)13/h1-10H,11H2,(H2,25,31)
InChIKeyYSOJUFUQAXJXJU-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.47
Rot. Bonds4

About 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide

2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide (PubChem CID 135353659) has the molecular formula C22H14F2N6O and a molecular weight of 416.39 g/mol. Its IUPAC name is 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
PubChem CID135353659
Molecular FormulaC22H14F2N6O
Molecular Weight416.39 g/mol
Exact Mass416.12
IUPAC Name2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESNC(=O)c1c(F)cc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F
InChIInChI=1S/C22H14F2N6O/c23-15-9-14(10-16(24)19(15)21(25)31)17-6-7-18-22(27-17)30(29-28-18)11-13-4-1-3-12-5-2-8-26-20(12)13/h1-10H,11H2,(H2,25,31)
InChIKeyYSOJUFUQAXJXJU-UHFFFAOYSA-N
XLogP3.47
TPSA99.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[3-(dimethylamino)-3-oxopropyl]-2-fluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353697
2-chloro-N-(1-hydroxy-2-methylpropan-2-yl)oxy-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 155352045
N-(oxan-4-yl)-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353695
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide
CID 162489857
2-chloro-N-ethyl-4-[3-[(7-fluoroquinolin-8-yl)methyl]triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353699
6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
2-[1-(quinolin-8-ylmethyl)tetrazol-5-yl]sulfanylacetic acid
CID 81428061
3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridine-5-carboxamide
CID 151275107
5-methyl-1-(quinolin-8-ylmethyl)triazol-4-amine
CID 79542110
2-[[2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl 2-methylpropanoate
CID 140667566
2-[[2-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]methylamino]ethyl acetate
CID 140667578

Frequently Asked Questions

What is the IUPAC name of 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The IUPAC name of 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide (CID 135353659) is 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The canonical SMILES for 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide is NC(=O)c1c(F)cc(-c2ccc3nnn(Cc4cccc5cccnc45)c3n2)cc1F.
What is the InChIKey of 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The InChIKey is YSOJUFUQAXJXJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6O/c23-15-9-14(10-16(24)19(15)21(25)31)17-6-7-18-22(27-17)30(29-28-18)11-13-4-1-3-12-5-2-8-26-20(12)13/h1-10H,11H2,(H2,25,31).
What are the key properties of 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide?
2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide has a molecular weight of 416.39 g/mol, XLogP of 3.47, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 135353659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).