N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide

C24H19F3N6O2 — CID 11155871

IUPACN-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
SMILESN#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc2c(N)noc2c1
InChIInChI=1S/C24H19F3N6O2/c25-22-17(10-21(34)31-12-14-4-6-16-19(9-14)35-33-23(16)29)15(11-28)5-7-18(22)32-13-24(26,27)20-3-1-2-8-30-20/h1-9,32H,10,12-13H2,(H2,29,33)(H,31,34)
InChIKeyDAMIKXDHGIBVQV-UHFFFAOYSA-N
MW480.45 g/mol
LogP3.88
Rot. Bonds8

About N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide

N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide (PubChem CID 11155871) has the molecular formula C24H19F3N6O2 and a molecular weight of 480.45 g/mol. Its IUPAC name is N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide.

Molecular Properties

Compound NameN-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
PubChem CID11155871
Molecular FormulaC24H19F3N6O2
Molecular Weight480.45 g/mol
Exact Mass480.15
IUPAC NameN-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide
SMILESN#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc2c(N)noc2c1
InChIInChI=1S/C24H19F3N6O2/c25-22-17(10-21(34)31-12-14-4-6-16-19(9-14)35-33-23(16)29)15(11-28)5-7-18(22)32-13-24(26,27)20-3-1-2-8-30-20/h1-9,32H,10,12-13H2,(H2,29,33)(H,31,34)
InChIKeyDAMIKXDHGIBVQV-UHFFFAOYSA-N
XLogP3.88
TPSA129.86 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.45
LogP ≤ 53.88
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide 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-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
The IUPAC name of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide (CID 11155871) is N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide.
What is the SMILES notation for N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
The canonical SMILES for N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide is N#Cc1ccc(NCC(F)(F)c2ccccn2)c(F)c1CC(=O)NCc1ccc2c(N)noc2c1.
What is the InChIKey of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
The InChIKey is DAMIKXDHGIBVQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19F3N6O2/c25-22-17(10-21(34)31-12-14-4-6-16-19(9-14)35-33-23(16)29)15(11-28)5-7-18(22)32-13-24(26,27)20-3-1-2-8-30-20/h1-9,32H,10,12-13H2,(H2,29,33)(H,31,34).
What are the key properties of N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide?
N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide has a molecular weight of 480.45 g/mol, XLogP of 3.88, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-amino-1,2-benzoxazol-6-yl)methyl]-2-[6-cyano-3-[(2,2-difluoro-2-pyridin-2-ylethyl)amino]-2-fluorophenyl]acetamide is sourced from PubChem (CID 11155871), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).