1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one

C25H25N7O3 — CID 72695171

IUPAC1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCC(=O)CC1
InChIInChI=1S/C25H25N7O3/c1-34-22-13-17(2-3-21(22)31-8-4-18(33)5-9-31)29-23-24-27-6-10-32(24)15-20(30-23)16-12-19-25(28-14-16)35-11-7-26-19/h2-3,6,10,12-15,26H,4-5,7-9,11H2,1H3,(H,29,30)
InChIKeyWDVIQQOYIMDELJ-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.52
Rot. Bonds5

About 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one

1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one (PubChem CID 72695171) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one.

Molecular Properties

Compound Name1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one
PubChem CID72695171
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one
SMILESCOc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCC(=O)CC1
InChIInChI=1S/C25H25N7O3/c1-34-22-13-17(2-3-21(22)31-8-4-18(33)5-9-31)29-23-24-27-6-10-32(24)15-20(30-23)16-12-19-25(28-14-16)35-11-7-26-19/h2-3,6,10,12-15,26H,4-5,7-9,11H2,1H3,(H,29,30)
InChIKeyWDVIQQOYIMDELJ-UHFFFAOYSA-N
XLogP3.52
TPSA105.91 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one?
The IUPAC name of 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one (CID 72695171) is 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one.
What is the SMILES notation for 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one?
The canonical SMILES for 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one is COc1cc(Nc2nc(-c3cnc4c(c3)NCCO4)cn3ccnc23)ccc1N1CCC(=O)CC1.
What is the InChIKey of 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one?
The InChIKey is WDVIQQOYIMDELJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-34-22-13-17(2-3-21(22)31-8-4-18(33)5-9-31)29-23-24-27-6-10-32(24)15-20(30-23)16-12-19-25(28-14-16)35-11-7-26-19/h2-3,6,10,12-15,26H,4-5,7-9,11H2,1H3,(H,29,30).
What are the key properties of 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one?
1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one has a molecular weight of 471.52 g/mol, XLogP of 3.52, 5 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[6-(2,3-dihydro-1H-pyrido[2,3-b][1,4]oxazin-7-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-methoxyphenyl]piperidin-4-one is sourced from PubChem (CID 72695171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).