4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide

C19H22N6O3S — CID 118890823

IUPAC4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide
SMILESO=S1(=Nc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOCC1
InChIInChI=1S/C19H22N6O3S/c26-29(11-9-28-10-12-29)24-16-13-17(25-5-7-27-8-6-25)22-18-14(16)1-3-20-19(18)15-2-4-21-23-15/h1-4,13H,5-12H2,(H,21,23)
InChIKeyDYUSDRDNDVOWDS-UHFFFAOYSA-N
MW414.49 g/mol
LogP1.99
Rot. Bonds3

About 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide

4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide (PubChem CID 118890823) has the molecular formula C19H22N6O3S and a molecular weight of 414.49 g/mol. Its IUPAC name is 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide.

Molecular Properties

Compound Name4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide
PubChem CID118890823
Molecular FormulaC19H22N6O3S
Molecular Weight414.49 g/mol
Exact Mass414.15
IUPAC Name4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide
SMILESO=S1(=Nc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOCC1
InChIInChI=1S/C19H22N6O3S/c26-29(11-9-28-10-12-29)24-16-13-17(25-5-7-27-8-6-25)22-18-14(16)1-3-20-19(18)15-2-4-21-23-15/h1-4,13H,5-12H2,(H,21,23)
InChIKeyDYUSDRDNDVOWDS-UHFFFAOYSA-N
XLogP1.99
TPSA105.59 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500414.49
LogP ≤ 51.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?
The IUPAC name of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide (CID 118890823) is 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide.
What is the SMILES notation for 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?
The canonical SMILES for 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide is O=S1(=Nc2cc(N3CCOCC3)nc3c(-c4ccn[nH]4)nccc23)CCOCC1.
What is the InChIKey of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?
The InChIKey is DYUSDRDNDVOWDS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N6O3S/c26-29(11-9-28-10-12-29)24-16-13-17(25-5-7-27-8-6-25)22-18-14(16)1-3-20-19(18)15-2-4-21-23-15/h1-4,13H,5-12H2,(H,21,23).
What are the key properties of 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide?
4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide has a molecular weight of 414.49 g/mol, XLogP of 1.99, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-1,4-oxathiane 4-oxide is sourced from PubChem (CID 118890823), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).