N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide

C23H29BrFN5O2 — CID 130374174

IUPACN-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide
SMILESCCCC(C)(NC)C(=O)NC(COCc1ccc(C)cc1F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C23H29BrFN5O2/c1-5-10-23(3,26-4)22(31)27-19(14-32-13-16-7-6-15(2)11-18(16)25)21-29-28-20-9-8-17(24)12-30(20)21/h6-9,11-12,19,26H,5,10,13-14H2,1-4H3,(H,27,31)
InChIKeyCVPIXFQPZVKWQH-UHFFFAOYSA-N
MW506.42 g/mol
LogP4.09
Rot. Bonds10

About N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide

N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide (PubChem CID 130374174) has the molecular formula C23H29BrFN5O2 and a molecular weight of 506.42 g/mol. Its IUPAC name is N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide.

Molecular Properties

Compound NameN-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide
PubChem CID130374174
Molecular FormulaC23H29BrFN5O2
Molecular Weight506.42 g/mol
Exact Mass505.15
IUPAC NameN-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide
SMILESCCCC(C)(NC)C(=O)NC(COCc1ccc(C)cc1F)c1nnc2ccc(Br)cn12
InChIInChI=1S/C23H29BrFN5O2/c1-5-10-23(3,26-4)22(31)27-19(14-32-13-16-7-6-15(2)11-18(16)25)21-29-28-20-9-8-17(24)12-30(20)21/h6-9,11-12,19,26H,5,10,13-14H2,1-4H3,(H,27,31)
InChIKeyCVPIXFQPZVKWQH-UHFFFAOYSA-N
XLogP4.09
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500506.42
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide?
The IUPAC name of N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide (CID 130374174) is N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide.
What is the SMILES notation for N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide?
The canonical SMILES for N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide is CCCC(C)(NC)C(=O)NC(COCc1ccc(C)cc1F)c1nnc2ccc(Br)cn12.
What is the InChIKey of N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide?
The InChIKey is CVPIXFQPZVKWQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29BrFN5O2/c1-5-10-23(3,26-4)22(31)27-19(14-32-13-16-7-6-15(2)11-18(16)25)21-29-28-20-9-8-17(24)12-30(20)21/h6-9,11-12,19,26H,5,10,13-14H2,1-4H3,(H,27,31).
What are the key properties of N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide?
N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide has a molecular weight of 506.42 g/mol, XLogP of 4.09, 10 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(6-bromo-[1,2,4]triazolo[4,3-a]pyridin-3-yl)-2-[(2-fluoro-4-methylphenyl)methoxy]ethyl]-2-methyl-2-(methylamino)pentanamide is sourced from PubChem (CID 130374174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).