1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one

C25H26N8O2 — CID 163291050

IUPAC1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(n2cc(Nc3ncc4ccc(-c5cnc6c(c5C)NCCO6)cc4n3)cn2)C1
InChIInChI=1S/C25H26N8O2/c1-3-22(34)32-13-19(14-32)33-12-18(10-29-33)30-25-28-9-17-5-4-16(8-21(17)31-25)20-11-27-24-23(15(20)2)26-6-7-35-24/h4-5,8-12,19,26H,3,6-7,13-14H2,1-2H3,(H,28,30,31)
InChIKeyCUVWILUHUKTJJV-UHFFFAOYSA-N
MW470.54 g/mol
LogP3.54
Rot. Bonds5

About 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one

1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one (PubChem CID 163291050) has the molecular formula C25H26N8O2 and a molecular weight of 470.54 g/mol. Its IUPAC name is 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one.

Molecular Properties

Compound Name1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one
PubChem CID163291050
Molecular FormulaC25H26N8O2
Molecular Weight470.54 g/mol
Exact Mass470.22
IUPAC Name1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one
SMILESCCC(=O)N1CC(n2cc(Nc3ncc4ccc(-c5cnc6c(c5C)NCCO6)cc4n3)cn2)C1
InChIInChI=1S/C25H26N8O2/c1-3-22(34)32-13-19(14-32)33-12-18(10-29-33)30-25-28-9-17-5-4-16(8-21(17)31-25)20-11-27-24-23(15(20)2)26-6-7-35-24/h4-5,8-12,19,26H,3,6-7,13-14H2,1-2H3,(H,28,30,31)
InChIKeyCUVWILUHUKTJJV-UHFFFAOYSA-N
XLogP3.54
TPSA110.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500470.54
LogP ≤ 53.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The IUPAC name of 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one (CID 163291050) is 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one.
What is the SMILES notation for 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The canonical SMILES for 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one is CCC(=O)N1CC(n2cc(Nc3ncc4ccc(-c5cnc6c(c5C)NCCO6)cc4n3)cn2)C1.
What is the InChIKey of 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
The InChIKey is CUVWILUHUKTJJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H26N8O2/c1-3-22(34)32-13-19(14-32)33-12-18(10-29-33)30-25-28-9-17-5-4-16(8-21(17)31-25)20-11-27-24-23(15(20)2)26-6-7-35-24/h4-5,8-12,19,26H,3,6-7,13-14H2,1-2H3,(H,28,30,31).
What are the key properties of 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one?
1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one has a molecular weight of 470.54 g/mol, XLogP of 3.54, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-[[7-(8-methyl-2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)quinazolin-2-yl]amino]pyrazol-1-yl]azetidin-1-yl]propan-1-one is sourced from PubChem (CID 163291050), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).