4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C19H24N5O3P — CID 134446550

IUPAC4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCOP(C)(=O)c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C19H24N5O3P/c1-4-27-28(3,25)16-11-17(24-9-10-26-12-13(24)2)22-18-14(16)5-7-20-19(18)15-6-8-21-23-15/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,23)
InChIKeyFREXWACQLKWHDO-UHFFFAOYSA-N
MW401.41 g/mol
LogP2.81
Rot. Bonds5

About 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 134446550) has the molecular formula C19H24N5O3P and a molecular weight of 401.41 g/mol. Its IUPAC name is 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID134446550
Molecular FormulaC19H24N5O3P
Molecular Weight401.41 g/mol
Exact Mass401.16
IUPAC Name4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCCOP(C)(=O)c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12
InChIInChI=1S/C19H24N5O3P/c1-4-27-28(3,25)16-11-17(24-9-10-26-12-13(24)2)22-18-14(16)5-7-20-19(18)15-6-8-21-23-15/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,23)
InChIKeyFREXWACQLKWHDO-UHFFFAOYSA-N
XLogP2.81
TPSA93.23 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.41
LogP ≤ 52.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

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
ethyl N-[3-[[2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]oxy]propyl]carbamate
CID 159883617
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
3-methyl-4-[4-(4-methyl-6-methylsulfonyl-3-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 134446335
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708
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
4-[4-(6-fluoro-2-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446437
(3R)-3-methyl-4-[4-(4-methylthiophen-2-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118869269
4-[4-(2-fluoro-4-pyrrolidin-1-ylphenyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 134446512
(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

Frequently Asked Questions

What is the IUPAC name of 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 134446550) is 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is CCOP(C)(=O)c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)nccc12.
What is the InChIKey of 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is FREXWACQLKWHDO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N5O3P/c1-4-27-28(3,25)16-11-17(24-9-10-26-12-13(24)2)22-18-14(16)5-7-20-19(18)15-6-8-21-23-15/h5-8,11,13H,4,9-10,12H2,1-3H3,(H,21,23).
What are the key properties of 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 401.41 g/mol, XLogP of 2.81, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-[ethoxy(methyl)phosphoryl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 134446550), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).