6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one

C24H23N5O4 — CID 59473582

IUPAC6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
SMILESCC(C)(O)COc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cn3ccnc23)cc1
InChIInChI=1S/C24H23N5O4/c1-24(2,31)14-33-17-6-4-16(5-7-17)26-22-23-25-9-10-29(23)12-19(28-22)15-3-8-20-18(11-15)27-21(30)13-32-20/h3-12,31H,13-14H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyDVPNQYOTECNNJS-UHFFFAOYSA-N
MW445.48 g/mol
LogP3.62
Rot. Bonds6

About 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one

6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one (PubChem CID 59473582) has the molecular formula C24H23N5O4 and a molecular weight of 445.48 g/mol. Its IUPAC name is 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one.

Molecular Properties

Compound Name6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
PubChem CID59473582
Molecular FormulaC24H23N5O4
Molecular Weight445.48 g/mol
Exact Mass445.18
IUPAC Name6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
SMILESCC(C)(O)COc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cn3ccnc23)cc1
InChIInChI=1S/C24H23N5O4/c1-24(2,31)14-33-17-6-4-16(5-7-17)26-22-23-25-9-10-29(23)12-19(28-22)15-3-8-20-18(11-15)27-21(30)13-32-20/h3-12,31H,13-14H2,1-2H3,(H,26,28)(H,27,30)
InChIKeyDVPNQYOTECNNJS-UHFFFAOYSA-N
XLogP3.62
TPSA110.01 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.48
LogP ≤ 53.62
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

6-[8-(4-pyrrolidin-1-ylanilino)imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one
CID 134376937
1-[4-[[6-(1H-indazol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]-2-methylpropan-2-ol
CID 59473592
7-[8-[4-(3-hydroxy-3-methylazetidin-1-yl)anilino]imidazo[1,2-a]pyrazin-6-yl]-1H-pyrido[2,3-b][1,4]oxazin-2-one
CID 59473240
2-[[5-[[6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]-2-pyridinyl]-methylamino]ethanol
CID 146179033
6-(7-methylimidazo[1,2-a]pyridin-2-yl)-4H-1,4-benzoxazin-3-one chloride
CID 53350664
2-[4-[[6-(1H-indol-6-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenyl]-2-methylpropan-1-ol
CID 59473478
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-[3-methoxy-4-[4-(3-methyloxetan-3-yl)piperazin-1-yl]phenyl]imidazo[1,2-a]pyrazin-8-amine
CID 72695669
6-(3,4-dihydro-2H-1,4-benzoxazin-6-yl)-N-(3-methoxy-4-pyrrolidin-1-ylphenyl)imidazo[1,2-a]pyrazin-8-amine
CID 91489187
1-(3-hydroxy-3-methylazetidin-1-yl)-2-[4-[[6-(3H-isoindol-5-yl)imidazo[1,2-a]pyrazin-8-yl]amino]phenoxy]ethanone
CID 153092073
4-tert-butyl-N-[3-[8-[4-[2-(dimethylamino)ethoxy]anilino]imidazo[1,2-a]pyrazin-6-yl]phenyl]benzamide
CID 11562992
6-[2-(4-fluoroanilino)pyrimidin-4-yl]-4H-1,4-benzoxazin-3-one
CID 10042614
6-(4-ethoxyphenyl)-4H-1,4-benzoxazin-3-one
CID 117001077

Frequently Asked Questions

What is the IUPAC name of 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one?
The IUPAC name of 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one (CID 59473582) is 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one.
What is the SMILES notation for 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one?
The canonical SMILES for 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one is CC(C)(O)COc1ccc(Nc2nc(-c3ccc4c(c3)NC(=O)CO4)cn3ccnc23)cc1.
What is the InChIKey of 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one?
The InChIKey is DVPNQYOTECNNJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4/c1-24(2,31)14-33-17-6-4-16(5-7-17)26-22-23-25-9-10-29(23)12-19(28-22)15-3-8-20-18(11-15)27-21(30)13-32-20/h3-12,31H,13-14H2,1-2H3,(H,26,28)(H,27,30).
What are the key properties of 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one?
6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one has a molecular weight of 445.48 g/mol, XLogP of 3.62, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[8-[4-(2-hydroxy-2-methylpropoxy)anilino]imidazo[1,2-a]pyrazin-6-yl]-4H-1,4-benzoxazin-3-one is sourced from PubChem (CID 59473582), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).