N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide

C22H24N6O3S — CID 59244961

IUPACN-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1
InChIInChI=1S/C22H24N6O3S/c1-23-32(29,30)18-4-2-3-16(15-18)20-19-7-10-28(17-5-8-24-9-6-17)21(19)26-22(25-20)27-11-13-31-14-12-27/h2-6,8-9,15,23H,7,10-14H2,1H3
InChIKeyQJRXICYDDVUZQW-UHFFFAOYSA-N
MW452.54 g/mol
LogP1.98
Rot. Bonds5

About N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide

N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide (PubChem CID 59244961) has the molecular formula C22H24N6O3S and a molecular weight of 452.54 g/mol. Its IUPAC name is N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide.

Molecular Properties

Compound NameN-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
PubChem CID59244961
Molecular FormulaC22H24N6O3S
Molecular Weight452.54 g/mol
Exact Mass452.16
IUPAC NameN-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide
SMILESCNS(=O)(=O)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1
InChIInChI=1S/C22H24N6O3S/c1-23-32(29,30)18-4-2-3-16(15-18)20-19-7-10-28(17-5-8-24-9-6-17)21(19)26-22(25-20)27-11-13-31-14-12-27/h2-6,8-9,15,23H,7,10-14H2,1H3
InChIKeyQJRXICYDDVUZQW-UHFFFAOYSA-N
XLogP1.98
TPSA100.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500452.54
LogP ≤ 51.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The IUPAC name of N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide (CID 59244961) is N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide.
What is the SMILES notation for N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The canonical SMILES for N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide is CNS(=O)(=O)c1cccc(-c2nc(N3CCOCC3)nc3c2CCN3c2ccncc2)c1.
What is the InChIKey of N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
The InChIKey is QJRXICYDDVUZQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N6O3S/c1-23-32(29,30)18-4-2-3-16(15-18)20-19-7-10-28(17-5-8-24-9-6-17)21(19)26-22(25-20)27-11-13-31-14-12-27/h2-6,8-9,15,23H,7,10-14H2,1H3.
What are the key properties of N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide?
N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide has a molecular weight of 452.54 g/mol, XLogP of 1.98, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-3-(2-morpholin-4-yl-7-pyridin-4-yl-5,6-dihydropyrrolo[2,3-d]pyrimidin-4-yl)benzenesulfonamide is sourced from PubChem (CID 59244961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).