2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide

C27H25FN6O — CID 135353684

IUPAC2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESCCCNC(=O)c1ccc(-c2ccc3nnn(C(C)(C)c4cccc5cccnc45)c3n2)cc1F
InChIInChI=1S/C27H25FN6O/c1-4-14-30-26(35)19-11-10-18(16-21(19)28)22-12-13-23-25(31-22)34(33-32-23)27(2,3)20-9-5-7-17-8-6-15-29-24(17)20/h5-13,15-16H,4,14H2,1-3H3,(H,30,35)
InChIKeyDKSISFDZKSMPSE-UHFFFAOYSA-N
MW468.54 g/mol
LogP5.10
Rot. Bonds6

About 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide

2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide (PubChem CID 135353684) has the molecular formula C27H25FN6O and a molecular weight of 468.54 g/mol. Its IUPAC name is 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide
PubChem CID135353684
Molecular FormulaC27H25FN6O
Molecular Weight468.54 g/mol
Exact Mass468.21
IUPAC Name2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide
SMILESCCCNC(=O)c1ccc(-c2ccc3nnn(C(C)(C)c4cccc5cccnc45)c3n2)cc1F
InChIInChI=1S/C27H25FN6O/c1-4-14-30-26(35)19-11-10-18(16-21(19)28)22-12-13-23-25(31-22)34(33-32-23)27(2,3)20-9-5-7-17-8-6-15-29-24(17)20/h5-13,15-16H,4,14H2,1-3H3,(H,30,35)
InChIKeyDKSISFDZKSMPSE-UHFFFAOYSA-N
XLogP5.10
TPSA85.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500468.54
LogP ≤ 55.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The IUPAC name of 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide (CID 135353684) is 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The canonical SMILES for 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide is CCCNC(=O)c1ccc(-c2ccc3nnn(C(C)(C)c4cccc5cccnc45)c3n2)cc1F.
What is the InChIKey of 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide?
The InChIKey is DKSISFDZKSMPSE-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H25FN6O/c1-4-14-30-26(35)19-11-10-18(16-21(19)28)22-12-13-23-25(31-22)34(33-32-23)27(2,3)20-9-5-7-17-8-6-15-29-24(17)20/h5-13,15-16H,4,14H2,1-3H3,(H,30,35).
What are the key properties of 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide?
2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide has a molecular weight of 468.54 g/mol, XLogP of 5.10, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-propyl-4-[3-(2-quinolin-8-ylpropan-2-yl)triazolo[4,5-b]pyridin-5-yl]benzamide is sourced from PubChem (CID 135353684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).