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

C22H25N5O3 — CID 166887290

IUPAC3-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
SMILESCC1CN=C2C=C(N3CCOc4cc(C(=O)N5CCC[C@@H]5C)cnc43)C=CN2C1=O
InChIInChI=1S/C22H25N5O3/c1-14-12-23-19-11-17(5-7-27(19)21(14)28)26-8-9-30-18-10-16(13-24-20(18)26)22(29)25-6-3-4-15(25)2/h5,7,10-11,13-15H,3-4,6,8-9,12H2,1-2H3/t14?,15-/m0/s1
InChIKeyXNTHSIZKHAFTOJ-LOACHALJSA-N
MW407.47 g/mol
LogP2.19
Rot. Bonds2

About 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

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 (PubChem CID 166887290) has the molecular formula C22H25N5O3 and a molecular weight of 407.47 g/mol. Its IUPAC name is 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.

Molecular Properties

Compound Name3-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
PubChem CID166887290
Molecular FormulaC22H25N5O3
Molecular Weight407.47 g/mol
Exact Mass407.20
IUPAC Name3-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
SMILESCC1CN=C2C=C(N3CCOc4cc(C(=O)N5CCC[C@@H]5C)cnc43)C=CN2C1=O
InChIInChI=1S/C22H25N5O3/c1-14-12-23-19-11-17(5-7-27(19)21(14)28)26-8-9-30-18-10-16(13-24-20(18)26)22(29)25-6-3-4-15(25)2/h5,7,10-11,13-15H,3-4,6,8-9,12H2,1-2H3/t14?,15-/m0/s1
InChIKeyXNTHSIZKHAFTOJ-LOACHALJSA-N
XLogP2.19
TPSA78.34 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.47
LogP ≤ 52.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 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 with MolForge

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Related Compounds

(2S)-1-[4-(4-methyl-5-oxo-3,4-dihydro-2H-pyrido[1,2-a][1,3]diazepin-9-yl)-2,3-dihydropyrido[3,2-b][1,4]oxazine-7-carbonyl]pyrrolidine-2-carboxamide
CID 166887555
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
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-(methylaminomethyl)-4-[7-(pyrrolidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2H-pyridine-1-carbaldehyde
CID 154993990
3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylic acid
CID 166887089
4-[7-[1-(2-fluoropyrrolidin-1-yl)ethenyl]-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]benzoic acid
CID 166886190
(6-amino-3-pyridinyl)-(2-methylpyrrolidin-1-yl)methanone
CID 62151940
(5-amino-3-pyridinyl)-(2-methylpiperidin-1-yl)methanone
CID 102568289
(6-methyl-3-pyridinyl)-[(2R)-2-methylpyrrolidin-1-yl]methanone
CID 10058742
methyl 3-methyl-5-[7-(piperidine-1-carbonyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-4-yl]-2,3-dihydro-1H-indene-1-carboxylate
CID 166887132
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
[4-(4-fluorophenyl)-2,3-dihydropyrido[3,2-b][1,4]oxazin-7-yl]-piperidin-1-ylmethanone
CID 154994839

Frequently Asked Questions

What is the IUPAC name of 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?
The IUPAC name of 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) is 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.
What is the SMILES notation for 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?
The canonical SMILES for 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 is CC1CN=C2C=C(N3CCOc4cc(C(=O)N5CCC[C@@H]5C)cnc43)C=CN2C1=O.
What is the InChIKey of 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?
The InChIKey is XNTHSIZKHAFTOJ-LOACHALJSA-N. The full InChI is InChI=1S/C22H25N5O3/c1-14-12-23-19-11-17(5-7-27(19)21(14)28)26-8-9-30-18-10-16(13-24-20(18)26)22(29)25-6-3-4-15(25)2/h5,7,10-11,13-15H,3-4,6,8-9,12H2,1-2H3/t14?,15-/m0/s1.
What are the key properties of 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?
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 has a molecular weight of 407.47 g/mol, XLogP of 2.19, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 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 is sourced from PubChem (CID 166887290), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).