N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide

C26H26ClFN6O2 — CID 162441419

IUPACN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCN1CC2CC1CN2CC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C26H26ClFN6O2/c1-32-13-19-9-18(32)14-33(19)15-26(35)31-25-10-17(4-5-29-25)34-6-7-36-24-12-30-22(11-23(24)34)20-8-16(27)2-3-21(20)28/h2-5,8,10-12,18-19H,6-7,9,13-15H2,1H3,(H,29,31,35)
InChIKeyCUGWXEXODCIKMY-UHFFFAOYSA-N
MW508.99 g/mol
LogP3.79
Rot. Bonds5

About N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide

N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide (PubChem CID 162441419) has the molecular formula C26H26ClFN6O2 and a molecular weight of 508.99 g/mol. Its IUPAC name is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide.

Molecular Properties

Compound NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide
PubChem CID162441419
Molecular FormulaC26H26ClFN6O2
Molecular Weight508.99 g/mol
Exact Mass508.18
IUPAC NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide
SMILESCN1CC2CC1CN2CC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C26H26ClFN6O2/c1-32-13-19-9-18(32)14-33(19)15-26(35)31-25-10-17(4-5-29-25)34-6-7-36-24-12-30-22(11-23(24)34)20-8-16(27)2-3-21(20)28/h2-5,8,10-12,18-19H,6-7,9,13-15H2,1H3,(H,29,31,35)
InChIKeyCUGWXEXODCIKMY-UHFFFAOYSA-N
XLogP3.79
TPSA73.83 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500508.99
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide with MolForge

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Frequently Asked Questions

What is the IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide?
The IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide (CID 162441419) is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide.
What is the SMILES notation for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide?
The canonical SMILES for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide is CN1CC2CC1CN2CC(=O)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1.
What is the InChIKey of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide?
The InChIKey is CUGWXEXODCIKMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26ClFN6O2/c1-32-13-19-9-18(32)14-33(19)15-26(35)31-25-10-17(4-5-29-25)34-6-7-36-24-12-30-22(11-23(24)34)20-8-16(27)2-3-21(20)28/h2-5,8,10-12,18-19H,6-7,9,13-15H2,1H3,(H,29,31,35).
What are the key properties of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide?
N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide has a molecular weight of 508.99 g/mol, XLogP of 3.79, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-2-(5-methyl-2,5-diazabicyclo[2.2.1]heptan-2-yl)acetamide is sourced from PubChem (CID 162441419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).