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4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine

C23H22N4O3S — CID 159119773

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(C4=NCC=C4)nccc23)cc1
InChIInChI=1S/C23H22N4O3S/c1-31(28,29)17-6-4-16(5-7-17)19-15-21(27-11-13-30-14-12-27)26-22-18(19)8-10-25-23(22)20-3-2-9-24-20/h2-8,10,15H,9,11-14H2,1H3
InChIKeyKFNVJFKCLLUSKH-UHFFFAOYSA-N
MW434.52 g/mol
LogP2.90
Rot. Bonds4

About 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine

4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 159119773) has the molecular formula C23H22N4O3S and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID159119773
Molecular FormulaC23H22N4O3S
Molecular Weight434.52 g/mol
Exact Mass434.14
IUPAC Name4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(C4=NCC=C4)nccc23)cc1
InChIInChI=1S/C23H22N4O3S/c1-31(28,29)17-6-4-16(5-7-17)19-15-21(27-11-13-30-14-12-27)26-22-18(19)8-10-25-23(22)20-3-2-9-24-20/h2-8,10,15H,9,11-14H2,1H3
InChIKeyKFNVJFKCLLUSKH-UHFFFAOYSA-N
XLogP2.90
TPSA84.75 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 159119773) is 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CS(=O)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(C4=NCC=C4)nccc23)cc1.
What is the InChIKey of 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is KFNVJFKCLLUSKH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22N4O3S/c1-31(28,29)17-6-4-16(5-7-17)19-15-21(27-11-13-30-14-12-27)26-22-18(19)8-10-25-23(22)20-3-2-9-24-20/h2-8,10,15H,9,11-14H2,1H3.
What are the key properties of 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 434.52 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylsulfonylphenyl)-8-(2H-pyrrol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 159119773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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