[2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

C24H24FN5O4S — CID 70988713

IUPAC[2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1ccc(N2CCc3cnc(Nc4ccc(F)c(C(=O)N5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C24H24FN5O4S/c1-35(32,33)19-5-3-18(4-6-19)30-9-8-16-15-26-24(28-22(16)30)27-17-2-7-21(25)20(14-17)23(31)29-10-12-34-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,26,27,28)
InChIKeyVOZJQLPDXASXAM-UHFFFAOYSA-N
MW497.55 g/mol
LogP2.93
Rot. Bonds5

About [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone

[2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (PubChem CID 70988713) has the molecular formula C24H24FN5O4S and a molecular weight of 497.55 g/mol. Its IUPAC name is [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.

Molecular Properties

Compound Name[2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
PubChem CID70988713
Molecular FormulaC24H24FN5O4S
Molecular Weight497.55 g/mol
Exact Mass497.15
IUPAC Name[2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone
SMILESCS(=O)(=O)c1ccc(N2CCc3cnc(Nc4ccc(F)c(C(=O)N5CCOCC5)c4)nc32)cc1
InChIInChI=1S/C24H24FN5O4S/c1-35(32,33)19-5-3-18(4-6-19)30-9-8-16-15-26-24(28-22(16)30)27-17-2-7-21(25)20(14-17)23(31)29-10-12-34-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,26,27,28)
InChIKeyVOZJQLPDXASXAM-UHFFFAOYSA-N
XLogP2.93
TPSA104.73 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.55
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The IUPAC name of [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone (CID 70988713) is [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone.
What is the SMILES notation for [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The canonical SMILES for [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is CS(=O)(=O)c1ccc(N2CCc3cnc(Nc4ccc(F)c(C(=O)N5CCOCC5)c4)nc32)cc1.
What is the InChIKey of [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
The InChIKey is VOZJQLPDXASXAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24FN5O4S/c1-35(32,33)19-5-3-18(4-6-19)30-9-8-16-15-26-24(28-22(16)30)27-17-2-7-21(25)20(14-17)23(31)29-10-12-34-13-11-29/h2-7,14-15H,8-13H2,1H3,(H,26,27,28).
What are the key properties of [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone?
[2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone has a molecular weight of 497.55 g/mol, XLogP of 2.93, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for [2-fluoro-5-[[7-(4-methylsulfonylphenyl)-5,6-dihydropyrrolo[2,3-d]pyrimidin-2-yl]amino]phenyl]-morpholin-4-ylmethanone is sourced from PubChem (CID 70988713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).