4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

C20H19N7O4S — CID 71091693

IUPAC4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Nc3cnc(S(=O)(=O)N4CCOCC4)nc3)c3nccn23)cc[nH]1
InChIInChI=1S/C20H19N7O4S/c28-18-11-14(3-4-21-18)17-2-1-16(19-22-5-6-27(17)19)25-15-12-23-20(24-13-15)32(29,30)26-7-9-31-10-8-26/h1-6,11-13,25H,7-10H2,(H,21,28)
InChIKeyVZXFUQRVPGHYMH-UHFFFAOYSA-N
MW453.48 g/mol
LogP1.24
Rot. Bonds5

About 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one

4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (PubChem CID 71091693) has the molecular formula C20H19N7O4S and a molecular weight of 453.48 g/mol. Its IUPAC name is 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
PubChem CID71091693
Molecular FormulaC20H19N7O4S
Molecular Weight453.48 g/mol
Exact Mass453.12
IUPAC Name4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one
SMILESO=c1cc(-c2ccc(Nc3cnc(S(=O)(=O)N4CCOCC4)nc3)c3nccn23)cc[nH]1
InChIInChI=1S/C20H19N7O4S/c28-18-11-14(3-4-21-18)17-2-1-16(19-22-5-6-27(17)19)25-15-12-23-20(24-13-15)32(29,30)26-7-9-31-10-8-26/h1-6,11-13,25H,7-10H2,(H,21,28)
InChIKeyVZXFUQRVPGHYMH-UHFFFAOYSA-N
XLogP1.24
TPSA134.58 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500453.48
LogP ≤ 51.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Related Compounds

Sulfonamide deriv. 3b
CID 6539025
4-[8-(4-Morpholin-4-yl-phenylamino)imidazo[1,2-a]pyrazin-5-yl]-1H-pyridin-2-one
CID 24857447
4-[2-Methyl-3-(6-piperazin-1-yl-3-pyridinyl)imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 53380385
5-(2-methyl-8-morpholin-4-ylimidazo[1,2-a]pyrazin-3-yl)-N-propan-2-ylpyridin-2-amine
CID 67413560
4-[6-(6-Methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70682714
4-[6-(4-Methyl-3-pyridinyl)-2-[(4-methylsulfonylpiperazin-1-yl)methyl]imidazo[1,2-a]pyrazin-8-yl]morpholine
CID 70691136
N-[5-[2-[(4-methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]-2-pyridinyl]acetamide
CID 70695331
1-Ethyl-3-[7-[1-(2-methoxyethyl)-2-oxo-4-pyridinyl]-5-(5-methylpyrimidin-2-yl)imidazo[1,2-a]pyridin-2-yl]urea
CID 45484817
(R)-1-morpholino-N-(2,2,2-trifluoro-1-(pyridin-2-yl)ethyl)imidazo[1,5-a]pyrazine-3-carboxamide
CID 54583160
5-[2-[(4-Methylsulfonylpiperazin-1-yl)methyl]-8-morpholin-4-ylimidazo[1,2-a]pyrazin-6-yl]pyridin-2-amine
CID 70682713
12-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-10-morpholin-4-yl-1,4,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-4-carboxamide
CID 137650074
12-(2-aminopyrimidin-5-yl)-N-(4-fluorophenyl)-10-morpholin-4-yl-1,5,8,11-tetrazatricyclo[7.4.0.02,7]trideca-2(7),8,10,12-tetraene-5-carboxamide
CID 137652388

Frequently Asked Questions

What is the IUPAC name of 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The IUPAC name of 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one (CID 71091693) is 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one.
What is the SMILES notation for 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The canonical SMILES for 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is O=c1cc(-c2ccc(Nc3cnc(S(=O)(=O)N4CCOCC4)nc3)c3nccn23)cc[nH]1.
What is the InChIKey of 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
The InChIKey is VZXFUQRVPGHYMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19N7O4S/c28-18-11-14(3-4-21-18)17-2-1-16(19-22-5-6-27(17)19)25-15-12-23-20(24-13-15)32(29,30)26-7-9-31-10-8-26/h1-6,11-13,25H,7-10H2,(H,21,28).
What are the key properties of 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one?
4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one has a molecular weight of 453.48 g/mol, XLogP of 1.24, 5 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[8-[(2-morpholin-4-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-1H-pyridin-2-one is sourced from PubChem (CID 71091693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).