imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane

C23H25N7O2S — CID 118890833

IUPACimino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(C)n1
InChIInChI=1S/C23H25N7O2S/c1-14-13-32-11-10-30(14)20-12-18(16-4-5-21(27-15(16)2)33(3,24)31)17-6-8-25-23(22(17)28-20)19-7-9-26-29-19/h4-9,12,14,24H,10-11,13H2,1-3H3,(H,26,29)/t14-,33?/m1/s1
InChIKeyWEYDDJKJZQNJEX-PXYRPBPISA-N
MW463.57 g/mol
LogP3.65
Rot. Bonds4

About imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane

imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane (PubChem CID 118890833) has the molecular formula C23H25N7O2S and a molecular weight of 463.57 g/mol. Its IUPAC name is imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane.

Molecular Properties

Compound Nameimino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane
PubChem CID118890833
Molecular FormulaC23H25N7O2S
Molecular Weight463.57 g/mol
Exact Mass463.18
IUPAC Nameimino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane
SMILES[H]N=S(C)(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(C)n1
InChIInChI=1S/C23H25N7O2S/c1-14-13-32-11-10-30(14)20-12-18(16-4-5-21(27-15(16)2)33(3,24)31)17-6-8-25-23(22(17)28-20)19-7-9-26-29-19/h4-9,12,14,24H,10-11,13H2,1-3H3,(H,26,29)/t14-,33?/m1/s1
InChIKeyWEYDDJKJZQNJEX-PXYRPBPISA-N
XLogP3.65
TPSA120.74 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.57
LogP ≤ 53.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane with MolForge

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Related Compounds

Elimusertib
CID 118869362
US10772893, Example 286
CID 118869094
US10772893, Example 143
CID 118869117
4-[4-(Methylsulfonyl)phenyl]-2-(4-morpholinyl)-8-(1H-pyrazol-3-yl)-1,7-naphthyridine
CID 118869191
US10772893, Example 82
CID 118869234
(3R)-3-methyl-4-[4-(oxan-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869550
CID 118869552
CID 118869552
US10772893, Example 126
CID 118890502
(3R)-4-[4-(2-fluoro-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 122585589
(3R)-3-methyl-4-[8-(1H-pyrazol-5-yl)-4-(2-pyridin-3-ylethynyl)-1,7-naphthyridin-2-yl]morpholine
CID 156013847
(3R)-3-methyl-4-[4-(2-methylimidazol-1-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 156022101
(E)-2-(2-(3-(6-(4H-1,2,4-Triazol-3-ylthio)pyridin-3-yl)-8-morpholinoimidazo[1,2-b]pyridazin-2-yl)vinyl)quinoline
CID 86582613

Frequently Asked Questions

What is the IUPAC name of imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane?
The IUPAC name of imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane (CID 118890833) is imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane.
What is the SMILES notation for imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane?
The canonical SMILES for imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane is [H]N=S(C)(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)c(C)n1.
What is the InChIKey of imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane?
The InChIKey is WEYDDJKJZQNJEX-PXYRPBPISA-N. The full InChI is InChI=1S/C23H25N7O2S/c1-14-13-32-11-10-30(14)20-12-18(16-4-5-21(27-15(16)2)33(3,24)31)17-6-8-25-23(22(17)28-20)19-7-9-26-29-19/h4-9,12,14,24H,10-11,13H2,1-3H3,(H,26,29)/t14-,33?/m1/s1.
What are the key properties of imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane?
imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane has a molecular weight of 463.57 g/mol, XLogP of 3.65, 4 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for imino-methyl-[6-methyl-5-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]-2-pyridinyl]-oxo-λ6-sulfane is sourced from PubChem (CID 118890833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).