5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

C26H28N6O3 — CID 129057688

IUPAC5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CN[C@H]5CCOC5)cc4)no3)n2)ccc1=O
InChIInChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/m0/s1
InChIKeyHLEKOMUZEFCAAO-FQEVSTJZSA-N
MW472.55 g/mol
LogP3.67
Rot. Bonds7

About 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one

5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (PubChem CID 129057688) has the molecular formula C26H28N6O3 and a molecular weight of 472.55 g/mol. Its IUPAC name is 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.

Molecular Properties

Compound Name5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
PubChem CID129057688
Molecular FormulaC26H28N6O3
Molecular Weight472.55 g/mol
Exact Mass472.22
IUPAC Name5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
SMILESCC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CN[C@H]5CCOC5)cc4)no3)n2)ccc1=O
InChIInChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/m0/s1
InChIKeyHLEKOMUZEFCAAO-FQEVSTJZSA-N
XLogP3.67
TPSA121.09 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.55
LogP ≤ 53.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one with MolForge

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Related Compounds

5-[4-(4-fluorobutan-2-ylsulfonyl)phenyl]-3-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 46832268
5-[4-(oxan-4-ylsulfonyl)phenyl]-3-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 59471716
5-[4-(2-deuteriopropan-2-ylsulfonyl)phenyl]-3-[3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 89492594
5-[5-amino-6-[3-[3-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one
CID 54672911
3-[3-[2-fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfanylphenyl)pyrazin-2-amine
CID 135270377
5-[6-[3-[3-(2-aminopropan-2-yl)phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-1-pentan-3-ylpyridin-2-one;2-[5-[6-[3-[4-[(cyclopropylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-methylpyrazin-2-yl]-2-oxo-1-pyridinyl]-2-methylpropanenitrile;2-methyl-2-[5-[5-methyl-6-[3-[4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-2-oxo-1-pyridinyl]propanenitrile;molecular hydrogen
CID 158582530
3-[4-deuterio-3-[4-[(oxan-4-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfonylphenyl)pyrazin-2-amine
CID 89492595
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-[4-(oxan-4-ylsulfonyl)phenyl]pyrazin-2-amine
CID 59471696
5-(4-methylphenyl)-3-[5-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,3,4-oxadiazol-2-yl]pyrazin-2-amine
CID 135270382
6-[4-[[4-[5-[3-amino-6-(4-butan-2-ylsulfonylphenyl)pyrazin-2-yl]-1,2-oxazol-3-yl]-3-fluorophenyl]methylamino]oxolan-2-yl]-5-(4-butan-2-ylsulfonylphenyl)-3-[3-[2-fluoro-4-[(oxolan-3-ylamino)methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 91046336
3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]-5-(4-propan-2-ylsulfinylphenyl)pyrazin-2-amine
CID 138494642
5-[4-[(Z)-ethylidene(oxan-4-yl)-λ4-sulfanyl]phenyl]-3-[3-[4-(methylaminomethyl)phenyl]-1,2-oxazol-5-yl]pyrazin-2-amine
CID 163607583

Frequently Asked Questions

What is the IUPAC name of 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The IUPAC name of 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one (CID 129057688) is 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one.
What is the SMILES notation for 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The canonical SMILES for 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is CC(C)n1cc(-c2cnc(N)c(-c3cc(-c4ccc(CN[C@H]5CCOC5)cc4)no3)n2)ccc1=O.
What is the InChIKey of 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
The InChIKey is HLEKOMUZEFCAAO-FQEVSTJZSA-N. The full InChI is InChI=1S/C26H28N6O3/c1-16(2)32-14-19(7-8-24(32)33)22-13-29-26(27)25(30-22)23-11-21(31-35-23)18-5-3-17(4-6-18)12-28-20-9-10-34-15-20/h3-8,11,13-14,16,20,28H,9-10,12,15H2,1-2H3,(H2,27,29)/t20-/m0/s1.
What are the key properties of 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one?
5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one has a molecular weight of 472.55 g/mol, XLogP of 3.67, 7 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-amino-6-[3-[4-[[[(3S)-oxolan-3-yl]amino]methyl]phenyl]-1,2-oxazol-5-yl]pyrazin-2-yl]-1-propan-2-ylpyridin-2-one is sourced from PubChem (CID 129057688), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).