1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one

C21H26N6O2 — CID 176991645

IUPAC1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one
SMILESCC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2O1)c1ccc(=O)n(C)c1
InChIInChI=1S/C21H26N6O2/c1-14(15-4-5-20(28)26(2)12-15)7-22-10-18-11-23-19-6-16(8-24-21(19)29-18)17-9-25-27(3)13-17/h4-6,8-9,12-14,18,22-23H,7,10-11H2,1-3H3
InChIKeySSKTZPVOFLHDNH-UHFFFAOYSA-N
MW394.48 g/mol
LogP1.75
Rot. Bonds6

About 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one

1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one (PubChem CID 176991645) has the molecular formula C21H26N6O2 and a molecular weight of 394.48 g/mol. Its IUPAC name is 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one.

Molecular Properties

Compound Name1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one
PubChem CID176991645
Molecular FormulaC21H26N6O2
Molecular Weight394.48 g/mol
Exact Mass394.21
IUPAC Name1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one
SMILESCC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2O1)c1ccc(=O)n(C)c1
InChIInChI=1S/C21H26N6O2/c1-14(15-4-5-20(28)26(2)12-15)7-22-10-18-11-23-19-6-16(8-24-21(19)29-18)17-9-25-27(3)13-17/h4-6,8-9,12-14,18,22-23H,7,10-11H2,1-3H3
InChIKeySSKTZPVOFLHDNH-UHFFFAOYSA-N
XLogP1.75
TPSA86.00 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one?
The IUPAC name of 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one (CID 176991645) is 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one.
What is the SMILES notation for 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one?
The canonical SMILES for 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one is CC(CNCC1CNc2cc(-c3cnn(C)c3)cnc2O1)c1ccc(=O)n(C)c1.
What is the InChIKey of 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one?
The InChIKey is SSKTZPVOFLHDNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N6O2/c1-14(15-4-5-20(28)26(2)12-15)7-22-10-18-11-23-19-6-16(8-24-21(19)29-18)17-9-25-27(3)13-17/h4-6,8-9,12-14,18,22-23H,7,10-11H2,1-3H3.
What are the key properties of 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one?
1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one has a molecular weight of 394.48 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-5-[1-[[7-(1-methylpyrazol-4-yl)-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-3-yl]methylamino]propan-2-yl]pyridin-2-one is sourced from PubChem (CID 176991645), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).