ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate

C22H28N6O4 — CID 159883617

IUPACethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
SMILESCCOC(=O)NCCCOc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H28N6O4/c1-3-31-22(29)24-7-4-11-32-18-13-19(28-10-12-30-14-15(28)2)26-20-16(18)5-8-23-21(20)17-6-9-25-27-17/h5-6,8-9,13,15H,3-4,7,10-12,14H2,1-2H3,(H,24,29)(H,25,27)/t15-/m1/s1
InChIKeyNTVUEXHBCKCEEA-OAHLLOKOSA-N
MW440.50 g/mol
LogP2.76
Rot. Bonds8

About ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate

ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate (PubChem CID 159883617) has the molecular formula C22H28N6O4 and a molecular weight of 440.50 g/mol. Its IUPAC name is ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate.

Molecular Properties

Compound Nameethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
PubChem CID159883617
Molecular FormulaC22H28N6O4
Molecular Weight440.50 g/mol
Exact Mass440.22
IUPAC Nameethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
SMILESCCOC(=O)NCCCOc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C22H28N6O4/c1-3-31-22(29)24-7-4-11-32-18-13-19(28-10-12-30-14-15(28)2)26-20-16(18)5-8-23-21(20)17-6-9-25-27-17/h5-6,8-9,13,15H,3-4,7,10-12,14H2,1-2H3,(H,24,29)(H,25,27)/t15-/m1/s1
InChIKeyNTVUEXHBCKCEEA-OAHLLOKOSA-N
XLogP2.76
TPSA114.49 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds8
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.50
LogP ≤ 52.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-[[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]ethanamine
CID 134446532
ethoxy-dihydroxy-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phosphanium
CID 175221055
4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446550
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
1'-(dimethylamino)-N-[4-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]butyl]-3-oxospiro[2-benzofuran-1,9'-xanthene]-5-carboxamide
CID 151893916
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
3-methylimino-3-[2-(3-methylmorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]prop-1-en-1-amine
CID 174037628
3-methyl-4-[4-(4-methylsulfinylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446318
3-fluoro-4-[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 155648481
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-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437

Frequently Asked Questions

What is the IUPAC name of ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
The IUPAC name of ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate (CID 159883617) is ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate.
What is the SMILES notation for ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
The canonical SMILES for ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate is CCOC(=O)NCCCOc1cc(N2CCOC[C@H]2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
The InChIKey is NTVUEXHBCKCEEA-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H28N6O4/c1-3-31-22(29)24-7-4-11-32-18-13-19(28-10-12-30-14-15(28)2)26-20-16(18)5-8-23-21(20)17-6-9-25-27-17/h5-6,8-9,13,15H,3-4,7,10-12,14H2,1-2H3,(H,24,29)(H,25,27)/t15-/m1/s1.
What are the key properties of ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate?
ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate has a molecular weight of 440.50 g/mol, XLogP of 2.76, 8 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate is sourced from PubChem (CID 159883617), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).