5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

C24H23N7O3S — CID 58046113

IUPAC5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4cnc(S(=O)(=O)N5CCCCC5)nc4)c4nccn34)ccc21
InChIInChI=1S/C24H23N7O3S/c32-23-19-5-4-16(12-17(19)13-26-23)21-7-6-20(22-25-8-11-31(21)22)29-18-14-27-24(28-15-18)35(33,34)30-9-2-1-3-10-30/h4-8,11-12,14-15,29H,1-3,9-10,13H2,(H,26,32)
InChIKeyLTTGHVBMGLTHRW-UHFFFAOYSA-N
MW489.56 g/mol
LogP2.95
Rot. Bonds5

About 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one

5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (PubChem CID 58046113) has the molecular formula C24H23N7O3S and a molecular weight of 489.56 g/mol. Its IUPAC name is 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.

Molecular Properties

Compound Name5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
PubChem CID58046113
Molecular FormulaC24H23N7O3S
Molecular Weight489.56 g/mol
Exact Mass489.16
IUPAC Name5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one
SMILESO=C1NCc2cc(-c3ccc(Nc4cnc(S(=O)(=O)N5CCCCC5)nc4)c4nccn34)ccc21
InChIInChI=1S/C24H23N7O3S/c32-23-19-5-4-16(12-17(19)13-26-23)21-7-6-20(22-25-8-11-31(21)22)29-18-14-27-24(28-15-18)35(33,34)30-9-2-1-3-10-30/h4-8,11-12,14-15,29H,1-3,9-10,13H2,(H,26,32)
InChIKeyLTTGHVBMGLTHRW-UHFFFAOYSA-N
XLogP2.95
TPSA121.59 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.56
LogP ≤ 52.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The IUPAC name of 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one (CID 58046113) is 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one.
What is the SMILES notation for 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The canonical SMILES for 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is O=C1NCc2cc(-c3ccc(Nc4cnc(S(=O)(=O)N5CCCCC5)nc4)c4nccn34)ccc21.
What is the InChIKey of 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
The InChIKey is LTTGHVBMGLTHRW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H23N7O3S/c32-23-19-5-4-16(12-17(19)13-26-23)21-7-6-20(22-25-8-11-31(21)22)29-18-14-27-24(28-15-18)35(33,34)30-9-2-1-3-10-30/h4-8,11-12,14-15,29H,1-3,9-10,13H2,(H,26,32).
What are the key properties of 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one?
5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one has a molecular weight of 489.56 g/mol, XLogP of 2.95, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[8-[(2-piperidin-1-ylsulfonylpyrimidin-5-yl)amino]imidazo[1,2-a]pyridin-5-yl]-2,3-dihydroisoindol-1-one is sourced from PubChem (CID 58046113), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).