7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C22H24N6O3 — CID 166887315

IUPAC7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2cc(N3CCOc4cc(C(=O)N5C[C@@H]6CC[C@@H](C6)C5)cnc43)ccn2c1=O
InChIInChI=1S/C22H24N6O3/c1-25-22(30)28-5-4-17(10-19(28)24-25)27-6-7-31-18-9-16(11-23-20(18)27)21(29)26-12-14-2-3-15(8-14)13-26/h4-5,9-11,14-15H,2-3,6-8,12-13H2,1H3/t14-,15+
InChIKeyFNCOVFATEKCWSK-GASCZTMLSA-N
MW420.47 g/mol
LogP1.83
Rot. Bonds2

About 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (PubChem CID 166887315) has the molecular formula C22H24N6O3 and a molecular weight of 420.47 g/mol. Its IUPAC name is 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.

Molecular Properties

Compound Name7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
PubChem CID166887315
Molecular FormulaC22H24N6O3
Molecular Weight420.47 g/mol
Exact Mass420.19
IUPAC Name7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
SMILESCn1nc2cc(N3CCOc4cc(C(=O)N5C[C@@H]6CC[C@@H](C6)C5)cnc43)ccn2c1=O
InChIInChI=1S/C22H24N6O3/c1-25-22(30)28-5-4-17(10-19(28)24-25)27-6-7-31-18-9-16(11-23-20(18)27)21(29)26-12-14-2-3-15(8-14)13-26/h4-5,9-11,14-15H,2-3,6-8,12-13H2,1H3/t14-,15+
InChIKeyFNCOVFATEKCWSK-GASCZTMLSA-N
XLogP1.83
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 51.83
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The IUPAC name of 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one (CID 166887315) is 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one.
What is the SMILES notation for 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The canonical SMILES for 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is Cn1nc2cc(N3CCOc4cc(C(=O)N5C[C@@H]6CC[C@@H](C6)C5)cnc43)ccn2c1=O.
What is the InChIKey of 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
The InChIKey is FNCOVFATEKCWSK-GASCZTMLSA-N. The full InChI is InChI=1S/C22H24N6O3/c1-25-22(30)28-5-4-17(10-19(28)24-25)27-6-7-31-18-9-16(11-23-20(18)27)21(29)26-12-14-2-3-15(8-14)13-26/h4-5,9-11,14-15H,2-3,6-8,12-13H2,1H3/t14-,15+.
What are the key properties of 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one?
7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one has a molecular weight of 420.47 g/mol, XLogP of 1.83, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-[(1S,5R)-3-azabicyclo[3.2.1]octane-3-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one is sourced from PubChem (CID 166887315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).