7-[7-(3,3-difluoroazetidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one

C18H16F2N6O3 — CID 154995256

IUPAC7-[7-(3,3-difluoroazetidine-1-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)N5CC(F)(F)C5)cnc43)ccn2c1=O
InChIInChI=1S/C18H16F2N6O3/c1-23-17(28)26-3-2-12(7-14(26)22-23)25-4-5-29-13-6-11(8-21-15(13)25)16(27)24-9-18(19,20)10-24/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyCITZEHMBMUFRHR-UHFFFAOYSA-N
MW402.36 g/mol
LogP1.05
Rot. Bonds2

About 7-[7-(3,3-difluoroazetidine-1-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-(3,3-difluoroazetidine-1-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 154995256) has the molecular formula C18H16F2N6O3 and a molecular weight of 402.36 g/mol. Its IUPAC name is 7-[7-(3,3-difluoroazetidine-1-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-(3,3-difluoroazetidine-1-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 CID154995256
Molecular FormulaC18H16F2N6O3
Molecular Weight402.36 g/mol
Exact Mass402.13
IUPAC Name7-[7-(3,3-difluoroazetidine-1-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)N5CC(F)(F)C5)cnc43)ccn2c1=O
InChIInChI=1S/C18H16F2N6O3/c1-23-17(28)26-3-2-12(7-14(26)22-23)25-4-5-29-13-6-11(8-21-15(13)25)16(27)24-9-18(19,20)10-24/h2-3,6-8H,4-5,9-10H2,1H3
InChIKeyCITZEHMBMUFRHR-UHFFFAOYSA-N
XLogP1.05
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.36
LogP ≤ 51.05
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 7-[7-(3,3-difluoroazetidine-1-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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Related Compounds

7-[7-(4-fluoropiperidine-1-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 154994598
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
2-methyl-7-[7-(1-oxa-8-azaspiro[3.5]nonane-8-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 163994630
methyl 1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]azetidine-3-carboxylate
CID 154994170
7-[7-[(1R,5S)-8-azabicyclo[3.2.1]octane-8-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 167390497
2-methyl-7-[7-[(2R)-2-methylpyrrolidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390416
ethyl 4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylate
CID 154642581
2-methyl-7-[7-[(2S)-2-methylpiperidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154995253
7-[8-[(3R)-3-fluoropiperidine-1-carbonyl]-3,4-dihydro-2H-pyrido[3,2-b][1,4]oxazepin-5-yl]-2-methyl-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390382
2-ethyl-7-[7-(4-methyl-3-oxopiperazine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 154994898
tert-butyl N-methyl-N-[1-[4-(2-methyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]piperidin-3-yl]carbamate
CID 154642537
4-(2-ethyl-3-oxo-[1,2,4]triazolo[4,3-a]pyridin-7-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carboxylic acid
CID 166887319

Frequently Asked Questions

What is the IUPAC name of 7-[7-(3,3-difluoroazetidine-1-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-(3,3-difluoroazetidine-1-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 154995256) is 7-[7-(3,3-difluoroazetidine-1-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-(3,3-difluoroazetidine-1-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-(3,3-difluoroazetidine-1-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)N5CC(F)(F)C5)cnc43)ccn2c1=O.
What is the InChIKey of 7-[7-(3,3-difluoroazetidine-1-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 CITZEHMBMUFRHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16F2N6O3/c1-23-17(28)26-3-2-12(7-14(26)22-23)25-4-5-29-13-6-11(8-21-15(13)25)16(27)24-9-18(19,20)10-24/h2-3,6-8H,4-5,9-10H2,1H3.
What are the key properties of 7-[7-(3,3-difluoroazetidine-1-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-(3,3-difluoroazetidine-1-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 402.36 g/mol, XLogP of 1.05, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[7-(3,3-difluoroazetidine-1-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 154995256), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).