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

C22H21N5O3S — CID 118869191

IUPAC4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C22H21N5O3S/c1-31(28,29)16-4-2-15(3-5-16)18-14-20(27-10-12-30-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyFAZDIAPBCWLARY-UHFFFAOYSA-N
MW435.51 g/mol
LogP2.93
Rot. Bonds4

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

4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869191) has the molecular formula C22H21N5O3S and a molecular weight of 435.51 g/mol. Its IUPAC name is 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869191
Molecular FormulaC22H21N5O3S
Molecular Weight435.51 g/mol
Exact Mass435.14
IUPAC Name4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C22H21N5O3S/c1-31(28,29)16-4-2-15(3-5-16)18-14-20(27-10-12-30-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19/h2-9,14H,10-13H2,1H3,(H,24,26)
InChIKeyFAZDIAPBCWLARY-UHFFFAOYSA-N
XLogP2.93
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500435.51
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869191) is 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CS(=O)(=O)c1ccc(-c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)cc1.
What is the InChIKey of 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is FAZDIAPBCWLARY-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O3S/c1-31(28,29)16-4-2-15(3-5-16)18-14-20(27-10-12-30-13-11-27)25-21-17(18)6-8-23-22(21)19-7-9-24-26-19/h2-9,14H,10-13H2,1H3,(H,24,26).
What are the key properties of 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 435.51 g/mol, XLogP of 2.93, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-methylsulfonylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).