N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide

C22H14F2N6O — CID 162489857

IUPACN-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide
SMILESO=CNc1c(F)cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C22H14F2N6O/c23-16-9-15(10-17(24)21(16)26-12-31)19-5-6-20-22(27-19)30(29-28-20)11-13-3-4-18-14(8-13)2-1-7-25-18/h1-10,12H,11H2,(H,26,31)
InChIKeyPWBMEKJTKAJZHD-UHFFFAOYSA-N
MW416.39 g/mol
LogP3.94
Rot. Bonds5

About N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide

N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide (PubChem CID 162489857) has the molecular formula C22H14F2N6O and a molecular weight of 416.39 g/mol. Its IUPAC name is N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide.

Molecular Properties

Compound NameN-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide
PubChem CID162489857
Molecular FormulaC22H14F2N6O
Molecular Weight416.39 g/mol
Exact Mass416.12
IUPAC NameN-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide
SMILESO=CNc1c(F)cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F
InChIInChI=1S/C22H14F2N6O/c23-16-9-15(10-17(24)21(16)26-12-31)19-5-6-20-22(27-19)30(29-28-20)11-13-3-4-18-14(8-13)2-1-7-25-18/h1-10,12H,11H2,(H,26,31)
InChIKeyPWBMEKJTKAJZHD-UHFFFAOYSA-N
XLogP3.94
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.39
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

6-[[5-(3-fluorophenyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670606
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
6-[[5-[3-fluoro-4-(2-methylpropoxy)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 54670881
3-[2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]anilino]-2-methylpropanoic acid
CID 135353726
6-[[5-(2-chloro-4-pyridinyl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514686
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
4-[2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenoxy]-2-methylbutan-2-amine
CID 123177410
6-[(5-thiophen-2-yltriazolo[4,5-b]pyridin-3-yl)methyl]quinoline
CID 54760085
6-[[5-(1H-pyrazol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 53261938
6-[[5-[3-(methylsulfonylmethyl)phenyl]triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 149255111
6-[[5-(1,3-benzodioxol-5-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514805
6-[[5-(5-methylthiophen-2-yl)triazolo[4,5-b]pyridin-3-yl]methyl]quinoline
CID 58514910

Frequently Asked Questions

What is the IUPAC name of N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide?
The IUPAC name of N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide (CID 162489857) is N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide.
What is the SMILES notation for N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide?
The canonical SMILES for N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide is O=CNc1c(F)cc(-c2ccc3nnn(Cc4ccc5ncccc5c4)c3n2)cc1F.
What is the InChIKey of N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide?
The InChIKey is PWBMEKJTKAJZHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H14F2N6O/c23-16-9-15(10-17(24)21(16)26-12-31)19-5-6-20-22(27-19)30(29-28-20)11-13-3-4-18-14(8-13)2-1-7-25-18/h1-10,12H,11H2,(H,26,31).
What are the key properties of N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide?
N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide has a molecular weight of 416.39 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,6-difluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]phenyl]formamide is sourced from PubChem (CID 162489857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).