1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

C25H25N7O3 — CID 118881097

IUPAC1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(-c3cnc4cnccn34)n2)c1
InChIInChI=1S/C25H25N7O3/c1-15-24(16(2)35-31-15)21-10-20(22-12-28-23-13-27-7-8-32(22)23)29-25(30-21)17-5-4-6-19(9-17)34-14-18(33)11-26-3/h4-10,12-13,18,26,33H,11,14H2,1-3H3
InChIKeyMKMAOLCIHHPOEA-UHFFFAOYSA-N
MW471.52 g/mol
LogP3.08
Rot. Bonds8

About 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol

1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (PubChem CID 118881097) has the molecular formula C25H25N7O3 and a molecular weight of 471.52 g/mol. Its IUPAC name is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.

Molecular Properties

Compound Name1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
PubChem CID118881097
Molecular FormulaC25H25N7O3
Molecular Weight471.52 g/mol
Exact Mass471.20
IUPAC Name1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol
SMILESCNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(-c3cnc4cnccn34)n2)c1
InChIInChI=1S/C25H25N7O3/c1-15-24(16(2)35-31-15)21-10-20(22-12-28-23-13-27-7-8-32(22)23)29-25(30-21)17-5-4-6-19(9-17)34-14-18(33)11-26-3/h4-10,12-13,18,26,33H,11,14H2,1-3H3
InChIKeyMKMAOLCIHHPOEA-UHFFFAOYSA-N
XLogP3.08
TPSA123.49 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.52
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

Analyze 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The IUPAC name of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol (CID 118881097) is 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol.
What is the SMILES notation for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The canonical SMILES for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is CNCC(O)COc1cccc(-c2nc(-c3c(C)noc3C)cc(-c3cnc4cnccn34)n2)c1.
What is the InChIKey of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
The InChIKey is MKMAOLCIHHPOEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25N7O3/c1-15-24(16(2)35-31-15)21-10-20(22-12-28-23-13-27-7-8-32(22)23)29-25(30-21)17-5-4-6-19(9-17)34-14-18(33)11-26-3/h4-10,12-13,18,26,33H,11,14H2,1-3H3.
What are the key properties of 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol?
1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol has a molecular weight of 471.52 g/mol, XLogP of 3.08, 8 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-(3,5-dimethyl-1,2-oxazol-4-yl)-6-imidazo[1,2-a]pyrazin-3-ylpyrimidin-2-yl]phenoxy]-3-(methylamino)propan-2-ol is sourced from PubChem (CID 118881097), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).