4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide

C23H19FN6O — CID 123942315

IUPAC4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3nnn(Cc4ccc5c(c4)C=CCN5)c3n2)cc1F
InChIInChI=1S/C23H19FN6O/c1-25-23(31)17-6-5-16(12-18(17)24)20-8-9-21-22(27-20)30(29-28-21)13-14-4-7-19-15(11-14)3-2-10-26-19/h2-9,11-12,26H,10,13H2,1H3,(H,25,31)
InChIKeyVMTUJXIZAUKYER-UHFFFAOYSA-N
MW414.44 g/mol
LogP3.48
Rot. Bonds4

About 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide

4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide (PubChem CID 123942315) has the molecular formula C23H19FN6O and a molecular weight of 414.44 g/mol. Its IUPAC name is 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide.

Molecular Properties

Compound Name4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide
PubChem CID123942315
Molecular FormulaC23H19FN6O
Molecular Weight414.44 g/mol
Exact Mass414.16
IUPAC Name4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide
SMILESCNC(=O)c1ccc(-c2ccc3nnn(Cc4ccc5c(c4)C=CCN5)c3n2)cc1F
InChIInChI=1S/C23H19FN6O/c1-25-23(31)17-6-5-16(12-18(17)24)20-8-9-21-22(27-20)30(29-28-21)13-14-4-7-19-15(11-14)3-2-10-26-19/h2-9,11-12,26H,10,13H2,1H3,(H,25,31)
InChIKeyVMTUJXIZAUKYER-UHFFFAOYSA-N
XLogP3.48
TPSA84.73 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.44
LogP ≤ 53.48
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide?
The IUPAC name of 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide (CID 123942315) is 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide.
What is the SMILES notation for 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide?
The canonical SMILES for 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide is CNC(=O)c1ccc(-c2ccc3nnn(Cc4ccc5c(c4)C=CCN5)c3n2)cc1F.
What is the InChIKey of 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide?
The InChIKey is VMTUJXIZAUKYER-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN6O/c1-25-23(31)17-6-5-16(12-18(17)24)20-8-9-21-22(27-20)30(29-28-21)13-14-4-7-19-15(11-14)3-2-10-26-19/h2-9,11-12,26H,10,13H2,1H3,(H,25,31).
What are the key properties of 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide?
4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide has a molecular weight of 414.44 g/mol, XLogP of 3.48, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1,2-dihydroquinolin-6-ylmethyl)triazolo[4,5-b]pyridin-5-yl]-2-fluoro-N-methylbenzamide is sourced from PubChem (CID 123942315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).