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

C17H19N5O3S — CID 118869564

IUPAC4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)11-12-10-15(22-6-8-25-9-7-22)20-16-13(12)2-4-18-17(16)14-3-5-19-21-14/h2-5,10H,6-9,11H2,1H3,(H,19,21)
InChIKeyHQGBTIIRIYVLBN-UHFFFAOYSA-N
MW373.44 g/mol
LogP1.40
Rot. Bonds4

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

4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 118869564) has the molecular formula C17H19N5O3S and a molecular weight of 373.44 g/mol. Its IUPAC name is 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID118869564
Molecular FormulaC17H19N5O3S
Molecular Weight373.44 g/mol
Exact Mass373.12
IUPAC Name4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
SMILESCS(=O)(=O)Cc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C17H19N5O3S/c1-26(23,24)11-12-10-15(22-6-8-25-9-7-22)20-16-13(12)2-4-18-17(16)14-3-5-19-21-14/h2-5,10H,6-9,11H2,1H3,(H,19,21)
InChIKeyHQGBTIIRIYVLBN-UHFFFAOYSA-N
XLogP1.40
TPSA101.07 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500373.44
LogP ≤ 51.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine (CID 118869564) is 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is CS(=O)(=O)Cc1cc(N2CCOCC2)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is HQGBTIIRIYVLBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5O3S/c1-26(23,24)11-12-10-15(22-6-8-25-9-7-22)20-16-13(12)2-4-18-17(16)14-3-5-19-21-14/h2-5,10H,6-9,11H2,1H3,(H,19,21).
What are the key properties of 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine?
4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 373.44 g/mol, XLogP of 1.40, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(methylsulfonylmethyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 118869564), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).