1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one

C24H23N5O4S — CID 162062654

IUPAC1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C24H23N5O4S/c30-22(19-15-27-24-25-9-10-29(24)17-19)7-3-18-1-4-20(5-2-18)34(31,32)21-6-8-23(26-16-21)28-11-13-33-14-12-28/h1-2,4-6,8-10,15-17H,3,7,11-14H2
InChIKeyZAAVUTQKSCWKFA-UHFFFAOYSA-N
MW477.55 g/mol
LogP2.61
Rot. Bonds7

About 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one

1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one (PubChem CID 162062654) has the molecular formula C24H23N5O4S and a molecular weight of 477.55 g/mol. Its IUPAC name is 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one.

Molecular Properties

Compound Name1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one
PubChem CID162062654
Molecular FormulaC24H23N5O4S
Molecular Weight477.55 g/mol
Exact Mass477.15
IUPAC Name1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one
SMILESO=C(CCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1)c1cnc2nccn2c1
InChIInChI=1S/C24H23N5O4S/c30-22(19-15-27-24-25-9-10-29(24)17-19)7-3-18-1-4-20(5-2-18)34(31,32)21-6-8-23(26-16-21)28-11-13-33-14-12-28/h1-2,4-6,8-10,15-17H,3,7,11-14H2
InChIKeyZAAVUTQKSCWKFA-UHFFFAOYSA-N
XLogP2.61
TPSA106.76 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500477.55
LogP ≤ 52.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-[4-[4-[2-(dimethylamino)ethyl]phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157319178
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-(4-methoxy-3,5-dimethylphenyl)sulfonylphenyl]propan-1-one
CID 159019243
3-[4-[(2,4-dimethyl-1,3-thiazol-5-yl)sulfonyl]phenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 159742257
3-[4-[3-fluoro-4-(trifluoromethoxy)phenyl]sulfonylphenyl]-1-imidazo[1,2-a]pyrimidin-6-ylpropan-1-one
CID 157320792
3-[4-(3-fluoro-5-morpholin-4-ylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 159757216
1-imidazo[1,2-a]pyridin-6-yl-3-[4-(4-methylsulfonylphenyl)sulfonylphenyl]propan-1-one
CID 159340424
N-[[4-(benzenesulfonyl)phenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 71818455
3-[4-(4-ethoxyphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 149055168
3-(4-morpholin-4-ylsulfonylphenyl)-N-[(6-piperidin-1-yl-3-pyridinyl)methyl]propanamide
CID 55844654
[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonylamino]cyclohexyl]carbamic acid
CID 174214991
3-[4-(3-ethylphenyl)sulfonylphenyl]-1-imidazo[1,2-a]pyridin-6-ylpropan-1-one
CID 160997514
N-[[4-[4-(trifluoromethoxy)phenyl]sulfonylphenyl]methyl]imidazo[1,2-a]pyrimidine-6-carboxamide
CID 66613859

Frequently Asked Questions

What is the IUPAC name of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one?
The IUPAC name of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one (CID 162062654) is 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one.
What is the SMILES notation for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one?
The canonical SMILES for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one is O=C(CCc1ccc(S(=O)(=O)c2ccc(N3CCOCC3)nc2)cc1)c1cnc2nccn2c1.
What is the InChIKey of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one?
The InChIKey is ZAAVUTQKSCWKFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N5O4S/c30-22(19-15-27-24-25-9-10-29(24)17-19)7-3-18-1-4-20(5-2-18)34(31,32)21-6-8-23(26-16-21)28-11-13-33-14-12-28/h1-2,4-6,8-10,15-17H,3,7,11-14H2.
What are the key properties of 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one?
1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one has a molecular weight of 477.55 g/mol, XLogP of 2.61, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 1-imidazo[1,2-a]pyrimidin-6-yl-3-[4-[(6-morpholin-4-yl-3-pyridinyl)sulfonyl]phenyl]propan-1-one is sourced from PubChem (CID 162062654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).