N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide

C25H25ClFN5O3 — CID 162441383

IUPACN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C25H25ClFN5O3/c26-17-1-2-20(27)19(13-17)21-15-22-23(16-29-21)35-12-9-32(22)18-3-5-28-24(14-18)30-25(33)4-6-31-7-10-34-11-8-31/h1-3,5,13-16H,4,6-12H2,(H,28,30,33)
InChIKeyUYBMKWGSLAFVFS-UHFFFAOYSA-N
MW497.96 g/mol
LogP4.13
Rot. Bonds6

About N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide

N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide (PubChem CID 162441383) has the molecular formula C25H25ClFN5O3 and a molecular weight of 497.96 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]-3-morpholin-4-ylpropanamide.

Molecular Properties

Compound NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide
PubChem CID162441383
Molecular FormulaC25H25ClFN5O3
Molecular Weight497.96 g/mol
Exact Mass497.16
IUPAC NameN-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide
SMILESO=C(CCN1CCOCC1)Nc1cc(N2CCOc3cnc(-c4cc(Cl)ccc4F)cc32)ccn1
InChIInChI=1S/C25H25ClFN5O3/c26-17-1-2-20(27)19(13-17)21-15-22-23(16-29-21)35-12-9-32(22)18-3-5-28-24(14-18)30-25(33)4-6-31-7-10-34-11-8-31/h1-3,5,13-16H,4,6-12H2,(H,28,30,33)
InChIKeyUYBMKWGSLAFVFS-UHFFFAOYSA-N
XLogP4.13
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.96
LogP ≤ 54.13
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]-3-morpholin-4-ylpropanamide 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]-3-morpholin-4-ylpropanamide?
The IUPAC name of N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide (CID 162441383) is N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide.
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]-3-morpholin-4-ylpropanamide?
The canonical SMILES for N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide is O=C(CCN1CCOCC1)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]-3-morpholin-4-ylpropanamide?
The InChIKey is UYBMKWGSLAFVFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25ClFN5O3/c26-17-1-2-20(27)19(13-17)21-15-22-23(16-29-21)35-12-9-32(22)18-3-5-28-24(14-18)30-25(33)4-6-31-7-10-34-11-8-31/h1-3,5,13-16H,4,6-12H2,(H,28,30,33).
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]-3-morpholin-4-ylpropanamide?
N-[4-[7-(5-chloro-2-fluorophenyl)-2,3-dihydropyrido[3,4-b][1,4]oxazin-1-yl]-2-pyridinyl]-3-morpholin-4-ylpropanamide has a molecular weight of 497.96 g/mol, XLogP of 4.13, 6 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]-3-morpholin-4-ylpropanamide is sourced from PubChem (CID 162441383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).