ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate

C26H28N6O4S — CID 118890756

IUPACethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate
SMILESCCOC(=O)N=S(C)(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C26H28N6O4S/c1-4-36-26(33)31-37(3,34)19-7-5-18(6-8-19)21-15-23(32-13-14-35-16-17(32)2)29-24-20(21)9-11-27-25(24)22-10-12-28-30-22/h5-12,15,17H,4,13-14,16H2,1-3H3,(H,28,30)/t17-,37?/m1/s1
InChIKeyANAFQAGYMBYMTJ-KQPUHEMHSA-N
MW520.62 g/mol
LogP4.53
Rot. Bonds5

About ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate

ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate (PubChem CID 118890756) has the molecular formula C26H28N6O4S and a molecular weight of 520.62 g/mol. Its IUPAC name is ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate.

Molecular Properties

Compound Nameethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate
PubChem CID118890756
Molecular FormulaC26H28N6O4S
Molecular Weight520.62 g/mol
Exact Mass520.19
IUPAC Nameethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate
SMILESCCOC(=O)N=S(C)(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cc1
InChIInChI=1S/C26H28N6O4S/c1-4-36-26(33)31-37(3,34)19-7-5-18(6-8-19)21-15-23(32-13-14-35-16-17(32)2)29-24-20(21)9-11-27-25(24)22-10-12-28-30-22/h5-12,15,17H,4,13-14,16H2,1-3H3,(H,28,30)/t17-,37?/m1/s1
InChIKeyANAFQAGYMBYMTJ-KQPUHEMHSA-N
XLogP4.53
TPSA122.66 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500520.62
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate with MolForge

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Related Compounds

3-methyl-4-[4-(4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446318
(4-bromophenyl)-methyl-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
CID 118890848
3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446335
4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446550
(1-ethoxy-1-methoxyethyl)imino-methyl-[4-[2-morpholin-4-yl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfane
CID 118890751
ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
CID 159883617
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055
2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
(3R)-3-methyl-4-[4-(1-propan-2-ylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869597

Frequently Asked Questions

What is the IUPAC name of ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate?
The IUPAC name of ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate (CID 118890756) is ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate.
What is the SMILES notation for ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate?
The canonical SMILES for ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate is CCOC(=O)N=S(C)(=O)c1ccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)nccc23)cc1.
What is the InChIKey of ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate?
The InChIKey is ANAFQAGYMBYMTJ-KQPUHEMHSA-N. The full InChI is InChI=1S/C26H28N6O4S/c1-4-36-26(33)31-37(3,34)19-7-5-18(6-8-19)21-15-23(32-13-14-35-16-17(32)2)29-24-20(21)9-11-27-25(24)22-10-12-28-30-22/h5-12,15,17H,4,13-14,16H2,1-3H3,(H,28,30)/t17-,37?/m1/s1.
What are the key properties of ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate?
ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate has a molecular weight of 520.62 g/mol, XLogP of 4.53, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[methyl-[4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]-oxo-λ6-sulfanylidene]carbamate is sourced from PubChem (CID 118890756), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).