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

C20H20N6O5 — CID 154994170

IUPACmethyl 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
SMILESCOC(=O)C1CN(C(=O)c2cnc3c(c2)OCCN3c2ccn3c(=O)n(C)nc3c2)C1
InChIInChI=1S/C20H20N6O5/c1-23-20(29)26-4-3-14(8-16(26)22-23)25-5-6-31-15-7-12(9-21-17(15)25)18(27)24-10-13(11-24)19(28)30-2/h3-4,7-9,13H,5-6,10-11H2,1-2H3
InChIKeyMDKUZVNBHMZZLT-UHFFFAOYSA-N
MW424.42 g/mol
LogP0.20
Rot. Bonds3

About 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

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 (PubChem CID 154994170) has the molecular formula C20H20N6O5 and a molecular weight of 424.42 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Namemethyl 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
PubChem CID154994170
Molecular FormulaC20H20N6O5
Molecular Weight424.42 g/mol
Exact Mass424.15
IUPAC Namemethyl 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
SMILESCOC(=O)C1CN(C(=O)c2cnc3c(c2)OCCN3c2ccn3c(=O)n(C)nc3c2)C1
InChIInChI=1S/C20H20N6O5/c1-23-20(29)26-4-3-14(8-16(26)22-23)25-5-6-31-15-7-12(9-21-17(15)25)18(27)24-10-13(11-24)19(28)30-2/h3-4,7-9,13H,5-6,10-11H2,1-2H3
InChIKeyMDKUZVNBHMZZLT-UHFFFAOYSA-N
XLogP0.20
TPSA111.27 Ų
H-Bond Donors
H-Bond Acceptors10
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.42
LogP ≤ 50.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1010

Analyze 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 with MolForge

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Related Compounds

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
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-(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
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-[(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
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-(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
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
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
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
7-[8-methoxy-7-(piperidine-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 167390524

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is COC(=O)C1CN(C(=O)c2cnc3c(c2)OCCN3c2ccn3c(=O)n(C)nc3c2)C1.
What is the InChIKey of 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?
The InChIKey is MDKUZVNBHMZZLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N6O5/c1-23-20(29)26-4-3-14(8-16(26)22-23)25-5-6-31-15-7-12(9-21-17(15)25)18(27)24-10-13(11-24)19(28)30-2/h3-4,7-9,13H,5-6,10-11H2,1-2H3.
What are the key properties of 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?
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 has a molecular weight of 424.42 g/mol, XLogP of 0.20, 3 rotatable bonds, 0 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154994170), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).