(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine

C23H24ClN5O3S — CID 166041988

IUPAC(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1
InChIInChI=1S/C23H24ClN5O3S/c1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2/h3-7,9,13,16H,8,10-12,14H2,1-2H3/t16-/m1/s1
InChIKeySKPZNRCDUXWOLF-MRXNPFEDSA-N
MW486.00 g/mol
LogP3.48
Rot. Bonds4

About (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine

(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine (PubChem CID 166041988) has the molecular formula C23H24ClN5O3S and a molecular weight of 486.00 g/mol. Its IUPAC name is (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine
PubChem CID166041988
Molecular FormulaC23H24ClN5O3S
Molecular Weight486.00 g/mol
Exact Mass485.13
IUPAC Name(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine
SMILESCc1ccc(S(=O)(=O)N2CCc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1
InChIInChI=1S/C23H24ClN5O3S/c1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2/h3-7,9,13,16H,8,10-12,14H2,1-2H3/t16-/m1/s1
InChIKeySKPZNRCDUXWOLF-MRXNPFEDSA-N
XLogP3.48
TPSA88.52 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500486.00
LogP ≤ 53.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Related Compounds

(3R)-3-methyl-4-[2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]-6-(2-methylpyrazol-3-yl)pyrimidin-4-yl]morpholine
CID 155654954
(3R)-4-[6-(6-fluoro-4-methyl-3-pyridinyl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 155654946
2-[6-fluoro-1-(4-methylphenyl)sulfonylindol-4-yl]-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-4-amine
CID 155654959
1-methyl-4-[6-[(3R)-3-methylmorpholin-4-yl]-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]pyrazole-5-carbaldehyde
CID 155654927
[4-[4-chloro-6-[(3R)-3-methylmorpholin-4-yl]pyrimidin-2-yl]pyrrolo[2,3-b]pyridin-1-yl] thiohypoiodite
CID 137418039
4-[4-chloro-6-(3-methylmorpholin-4-yl)pyrimidin-2-yl]-3-methylmorpholine
CID 123801845
(3S)-4-[6-[1-(benzenesulfonyl)cyclobutyl]-2-chloropyrimidin-4-yl]-3-methylmorpholine;(3S)-4-[2-chloro-6-[1-(4-methylphenyl)sulfonylcyclobutyl]pyrimidin-4-yl]-3-methylmorpholine
CID 157257781
(3R)-4-[6-(3,5-dimethyl-1-pyrrolidin-3-ylpyrazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine
CID 166042011
(3R)-4-[6-chloro-2-(1,3,5-trimethylpyrazol-4-yl)pyrimidin-4-yl]-3-methylmorpholine
CID 155376118
(3R)-4-[6-chloro-5-fluoro-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-(2,6-dichloro-5-fluoropyrimidin-4-yl)-3-methylmorpholine;1-(4-methylphenyl)sulfonyl-4-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pyrrolo[2,3-b]pyridine
CID 167661659
carbanide;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-[1-(4-methylphenyl)sulfonylpyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine;(3R)-4-[6-(3-cyclopropyl-5-methyltriazol-4-yl)-2-(1H-pyrrolo[2,3-b]pyridin-4-yl)pyrimidin-4-yl]-3-methylmorpholine;methane;tungsten
CID 159681364
4-(4,8-dichloro-1,7-naphthyridin-2-yl)-3-methylmorpholine
CID 134446451

Frequently Asked Questions

What is the IUPAC name of (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine (CID 166041988) is (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine is Cc1ccc(S(=O)(=O)N2CCc3c(-c4nc(Cl)cc(N5CCOC[C@H]5C)n4)ccnc32)cc1.
What is the InChIKey of (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine?
The InChIKey is SKPZNRCDUXWOLF-MRXNPFEDSA-N. The full InChI is InChI=1S/C23H24ClN5O3S/c1-15-3-5-17(6-4-15)33(30,31)29-10-8-19-18(7-9-25-23(19)29)22-26-20(24)13-21(27-22)28-11-12-32-14-16(28)2/h3-7,9,13,16H,8,10-12,14H2,1-2H3/t16-/m1/s1.
What are the key properties of (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine?
(3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine has a molecular weight of 486.00 g/mol, XLogP of 3.48, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[6-chloro-2-[1-(4-methylphenyl)sulfonyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl]pyrimidin-4-yl]-3-methylmorpholine is sourced from PubChem (CID 166041988), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).