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

C21H24N6O3 — CID 154995253

IUPAC2-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
SMILESC[C@H]1CCCCN1C(=O)c1cnc2c(c1)OCCN2c1ccn2c(=O)n(C)nc2c1
InChIInChI=1S/C21H24N6O3/c1-14-5-3-4-7-25(14)20(28)15-11-17-19(22-13-15)26(9-10-30-17)16-6-8-27-18(12-16)23-24(2)21(27)29/h6,8,11-14H,3-5,7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyDUOCYTNEMINHOM-AWEZNQCLSA-N
MW408.46 g/mol
LogP1.97
Rot. Bonds2

About 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

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 (PubChem CID 154995253) has the molecular formula C21H24N6O3 and a molecular weight of 408.46 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name2-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
PubChem CID154995253
Molecular FormulaC21H24N6O3
Molecular Weight408.46 g/mol
Exact Mass408.19
IUPAC Name2-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
SMILESC[C@H]1CCCCN1C(=O)c1cnc2c(c1)OCCN2c1ccn2c(=O)n(C)nc2c1
InChIInChI=1S/C21H24N6O3/c1-14-5-3-4-7-25(14)20(28)15-11-17-19(22-13-15)26(9-10-30-17)16-6-8-27-18(12-16)23-24(2)21(27)29/h6,8,11-14H,3-5,7,9-10H2,1-2H3/t14-/m0/s1
InChIKeyDUOCYTNEMINHOM-AWEZNQCLSA-N
XLogP1.97
TPSA84.97 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500408.46
LogP ≤ 51.97
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 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 with MolForge

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Related Compounds

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
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
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
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-(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
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
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
3-methyl-8-[7-[(2S)-2-methylpyrrolidine-1-carbonyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydropyrido[1,2-a]pyrimidin-4-one
CID 166887290
2-methyl-7-[(3R)-3-methyl-8-(piperidine-1-carbonyl)-3,4-dihydro-2H-1,5-benzoxazepin-5-yl]-[1,2,4]triazolo[4,3-a]pyridin-3-one
CID 167390609

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is C[C@H]1CCCCN1C(=O)c1cnc2c(c1)OCCN2c1ccn2c(=O)n(C)nc2c1.
What is the InChIKey of 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?
The InChIKey is DUOCYTNEMINHOM-AWEZNQCLSA-N. The full InChI is InChI=1S/C21H24N6O3/c1-14-5-3-4-7-25(14)20(28)15-11-17-19(22-13-15)26(9-10-30-17)16-6-8-27-18(12-16)23-24(2)21(27)29/h6,8,11-14H,3-5,7,9-10H2,1-2H3/t14-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 408.46 g/mol, XLogP of 1.97, 2 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 154995253), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).