2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide

C24H18F2N6O3 — CID 71766032

IUPAC2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1ccc(-c2ccc3nnn(Cc4cc5cccnc5cc4F)c3n2)cc1F
InChIInChI=1S/C24H18F2N6O3/c25-18-12-22-14(2-1-7-27-22)10-16(18)13-32-23-21(29-31-32)6-5-20(28-23)15-3-4-17(19(26)11-15)24(34)30-35-9-8-33/h1-7,10-12,33H,8-9,13H2,(H,30,34)
InChIKeyQFAMPEGUHUPIPJ-UHFFFAOYSA-N
MW476.44 g/mol
LogP3.02
Rot. Bonds7

About 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide

2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide (PubChem CID 71766032) has the molecular formula C24H18F2N6O3 and a molecular weight of 476.44 g/mol. Its IUPAC name is 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide.

Molecular Properties

Compound Name2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide
PubChem CID71766032
Molecular FormulaC24H18F2N6O3
Molecular Weight476.44 g/mol
Exact Mass476.14
IUPAC Name2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide
SMILESO=C(NOCCO)c1ccc(-c2ccc3nnn(Cc4cc5cccnc5cc4F)c3n2)cc1F
InChIInChI=1S/C24H18F2N6O3/c25-18-12-22-14(2-1-7-27-22)10-16(18)13-32-23-21(29-31-32)6-5-20(28-23)15-3-4-17(19(26)11-15)24(34)30-35-9-8-33/h1-7,10-12,33H,8-9,13H2,(H,30,34)
InChIKeyQFAMPEGUHUPIPJ-UHFFFAOYSA-N
XLogP3.02
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500476.44
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide with MolForge

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Related Compounds

2-[[2-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoyl]amino]oxyethyl 2-methylpropanoate
CID 71767484
2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoate
CID 131740796
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-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 71767761
4-[5-diazenyl-6-[(7-fluoroquinolin-6-yl)methylamino]-2-pyridinyl]-N-(2-hydroxyethoxy)-2-methylbenzamide
CID 123184936
2,6-difluoro-4-[3-(quinolin-8-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 135353659
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
4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide
CID 123942315
N-methyl-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzamide
CID 54670238
3-[2-fluoro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]anilino]-2-methylpropanoic acid
CID 135353726
(NE)-N-[1-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]ethylidene]hydroxylamine;hydrochloride
CID 136623818
2-chloro-4-[3-(quinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]benzoic acid
CID 66994823

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide?
The IUPAC name of 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide (CID 71766032) is 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide.
What is the SMILES notation for 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide?
The canonical SMILES for 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide is O=C(NOCCO)c1ccc(-c2ccc3nnn(Cc4cc5cccnc5cc4F)c3n2)cc1F.
What is the InChIKey of 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide?
The InChIKey is QFAMPEGUHUPIPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18F2N6O3/c25-18-12-22-14(2-1-7-27-22)10-16(18)13-32-23-21(29-31-32)6-5-20(28-23)15-3-4-17(19(26)11-15)24(34)30-35-9-8-33/h1-7,10-12,33H,8-9,13H2,(H,30,34).
What are the key properties of 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide?
2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide has a molecular weight of 476.44 g/mol, XLogP of 3.02, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-4-[3-[(7-fluoroquinolin-6-yl)methyl]triazolo[4,5-b]pyridin-5-yl]-N-(2-hydroxyethoxy)benzamide is sourced from PubChem (CID 71766032), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).