N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

C24H21F2N5O2 — CID 58374716

IUPACN-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOc1c(F)ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)c1F
InChIInChI=1S/C24H21F2N5O2/c1-33-22-17(25)11-12-18(21(22)26)27-13-14-5-7-15(8-6-14)19-3-2-4-20-28-24(30-31(19)20)29-23(32)16-9-10-16/h2-8,11-12,16,27H,9-10,13H2,1H3,(H,29,30,32)
InChIKeyICISPOGEVNQHEZ-UHFFFAOYSA-N
MW449.46 g/mol
LogP4.64
Rot. Bonds7

About N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide

N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (PubChem CID 58374716) has the molecular formula C24H21F2N5O2 and a molecular weight of 449.46 g/mol. Its IUPAC name is N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.

Molecular Properties

Compound NameN-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
PubChem CID58374716
Molecular FormulaC24H21F2N5O2
Molecular Weight449.46 g/mol
Exact Mass449.17
IUPAC NameN-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide
SMILESCOc1c(F)ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)c1F
InChIInChI=1S/C24H21F2N5O2/c1-33-22-17(25)11-12-18(21(22)26)27-13-14-5-7-15(8-6-14)19-3-2-4-20-28-24(30-31(19)20)29-23(32)16-9-10-16/h2-8,11-12,16,27H,9-10,13H2,1H3,(H,29,30,32)
InChIKeyICISPOGEVNQHEZ-UHFFFAOYSA-N
XLogP4.64
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.46
LogP ≤ 54.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide 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 N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The IUPAC name of N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide (CID 58374716) is N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide.
What is the SMILES notation for N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The canonical SMILES for N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is COc1c(F)ccc(NCc2ccc(-c3cccc4nc(NC(=O)C5CC5)nn34)cc2)c1F.
What is the InChIKey of N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
The InChIKey is ICISPOGEVNQHEZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21F2N5O2/c1-33-22-17(25)11-12-18(21(22)26)27-13-14-5-7-15(8-6-14)19-3-2-4-20-28-24(30-31(19)20)29-23(32)16-9-10-16/h2-8,11-12,16,27H,9-10,13H2,1H3,(H,29,30,32).
What are the key properties of N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide?
N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide has a molecular weight of 449.46 g/mol, XLogP of 4.64, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[4-[(2,4-difluoro-3-methoxyanilino)methyl]phenyl]-[1,2,4]triazolo[1,5-a]pyridin-2-yl]cyclopropanecarboxamide is sourced from PubChem (CID 58374716), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).