4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C42H41N13O7S2 — CID 159183833

IUPAC4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)nc3)c3nccn23)cc[nH]1.O=c1cc(-c2ccc(Nc3cnc(S(=O)(=O)N4CCCCC4)nc3)c3nccn23)cc[nH]1
InChIInChI=1S/C21H21N7O3S.C21H20N6O4S/c29-19-12-15(6-7-22-19)18-5-4-17(20-23-8-11-28(18)20)26-16-13-24-21(25-14-16)32(30,31)27-9-2-1-3-10-27;28-19-13-15(5-6-22-19)18-3-2-17(21-23-7-8-27(18)21)25-16-1-4-20(24-14-16)32(29,30)26-9-11-31-12-10-26/h4-8,11-14,26H,1-3,9-10H2,(H,22,29);1-8,13-14,25H,9-12H2,(H,22,28)
InChIKeyKNFQJSKZMJYSCK-UHFFFAOYSA-N
MW904.01 g/mol
LogP4.25
Rot. Bonds10

About 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 159183833) has the molecular formula C42H41N13O7S2 and a molecular weight of 904.01 g/mol. Its IUPAC name is 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID159183833
Molecular FormulaC42H41N13O7S2
Molecular Weight904.01 g/mol
Exact Mass903.27
IUPAC Name4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)nc3)c3nccn23)cc[nH]1.O=c1cc(-c2ccc(Nc3cnc(S(=O)(=O)N4CCCCC4)nc3)c3nccn23)cc[nH]1
InChIInChI=1S/C21H21N7O3S.C21H20N6O4S/c29-19-12-15(6-7-22-19)18-5-4-17(20-23-8-11-28(18)20)26-16-13-24-21(25-14-16)32(30,31)27-9-2-1-3-10-27;28-19-13-15(5-6-22-19)18-3-2-17(21-23-7-8-27(18)21)25-16-1-4-20(24-14-16)32(29,30)26-9-11-31-12-10-26/h4-8,11-14,26H,1-3,9-10H2,(H,22,29);1-8,13-14,25H,9-12H2,(H,22,28)
InChIKeyKNFQJSKZMJYSCK-UHFFFAOYSA-N
XLogP4.25
TPSA247.04 Ų
H-Bond Donors4
H-Bond Acceptors16
Rotatable Bonds10
Heavy Atoms64
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500904.01
LogP ≤ 54.25
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 1016

Analyze 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one with MolForge

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Related Compounds

5-[4-(4-Fluorophenyl)sulfonyl-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 137634808
5-[5-(4-Fluorophenyl)sulfonyl-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraen-12-yl]pyrimidin-2-amine
CID 137645069
N-cyclohexyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide;5-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;N-cyclopentyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-ethylimidazo[1,2-a]pyridine-3-sulfonamide;6-(1,5-dimethyl-6-oxo-3-pyridinyl)-N-propan-2-ylimidazo[1,2-a]pyridine-3-sulfonamide;1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 157538951
N-cyclohexyl-6-(1,5-dimethyl-6-oxo-3-pyridinyl)imidazo[1,2-a]pyridine-3-sulfonamide;5-[3-(cyclopentylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-(cyclopentylmethylamino)imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;5-[3-[(4,4-difluoropiperidin-1-yl)methyl]imidazo[1,2-a]pyridin-6-yl]-1,3-dimethylpyridin-2-one;1,3-dimethyl-5-[3-(morpholin-4-ylmethyl)imidazo[1,2-a]pyridin-6-yl]pyridin-2-one;1,3-dimethyl-5-(3-pyrrolidin-1-ylsulfonylimidazo[1,2-a]pyridin-6-yl)pyridin-2-one
CID 161597062
5-[2-[[4-(Benzenesulfonyl)piperazin-1-yl]methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyrimidin-2-amine
CID 46946047
4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 57580752
4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 57580821
4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]-[1,2,4]triazolo[1,5-a]pyridin-5-yl]-1H-pyridin-2-one
CID 57664362
2-[10-(Benzenesulfonyl)-3-(1-benzylpiperidin-4-yl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-4-yl]-1-morpholin-4-ylethanone
CID 67343000
N-[4-[10-(benzenesulfonyl)-3,5,8,10-tetrazatricyclo[7.3.0.02,6]dodeca-1,4,6,8,11-pentaen-3-yl]cyclohexyl]morpholine-4-carboxamide
CID 67343894
4-[8-(4-morpholin-4-ylsulfonylanilino)imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 71091687
4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
CID 71091693

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 159183833) is 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is O=c1cc(-c2ccc(Nc3ccc(S(=O)(=O)N4CCOCC4)nc3)c3nccn23)cc[nH]1.O=c1cc(-c2ccc(Nc3cnc(S(=O)(=O)N4CCCCC4)nc3)c3nccn23)cc[nH]1.
What is the InChIKey of 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is KNFQJSKZMJYSCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N7O3S.C21H20N6O4S/c29-19-12-15(6-7-22-19)18-5-4-17(20-23-8-11-28(18)20)26-16-13-24-21(25-14-16)32(30,31)27-9-2-1-3-10-27;28-19-13-15(5-6-22-19)18-3-2-17(21-23-7-8-27(18)21)25-16-1-4-20(24-14-16)32(29,30)26-9-11-31-12-10-26/h4-8,11-14,26H,1-3,9-10H2,(H,22,29);1-8,13-14,25H,9-12H2,(H,22,28).
What are the key properties of 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 904.01 g/mol, XLogP of 4.25, 10 rotatable bonds, 4 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(6-morpholin-4-ylsulfonyl-3-pyridinyl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one;4-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 159183833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).