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

C21H27N7O3S — CID 118869621

IUPAC4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CC1
InChIInChI=1S/C21H27N7O3S/c1-2-32(29,30)28-9-7-26(8-10-28)18-15-19(27-11-13-31-14-12-27)24-20-16(18)3-5-22-21(20)17-4-6-23-25-17/h3-6,15H,2,7-14H2,1H3,(H,23,25)
InChIKeyPZDBWSKBLYCHDM-UHFFFAOYSA-N
MW457.56 g/mol
LogP1.33
Rot. Bonds5

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

4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869621) has the molecular formula C21H27N7O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869621
Molecular FormulaC21H27N7O3S
Molecular Weight457.56 g/mol
Exact Mass457.19
IUPAC Name4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CC1
InChIInChI=1S/C21H27N7O3S/c1-2-32(29,30)28-9-7-26(8-10-28)18-15-19(27-11-13-31-14-12-27)24-20-16(18)3-5-22-21(20)17-4-6-23-25-17/h3-6,15H,2,7-14H2,1H3,(H,23,25)
InChIKeyPZDBWSKBLYCHDM-UHFFFAOYSA-N
XLogP1.33
TPSA107.55 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500457.56
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869621) is 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CCS(=O)(=O)N1CCN(c2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CC1.
What is the InChIKey of 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is PZDBWSKBLYCHDM-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H27N7O3S/c1-2-32(29,30)28-9-7-26(8-10-28)18-15-19(27-11-13-31-14-12-27)24-20-16(18)3-5-22-21(20)17-4-6-23-25-17/h3-6,15H,2,7-14H2,1H3,(H,23,25).
What are the key properties of 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 457.56 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-ethylsulfonylpiperazin-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869621), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).