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

C24H24ClN5O2 — CID 146230353

IUPAC4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1cc(Cl)ccc1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)ncc(C)c12
InChIInChI=1S/C24H24ClN5O2/c1-14-12-26-23(19-6-7-27-29-19)24-22(14)18(17-5-4-16(25)10-20(17)31-3)11-21(28-24)30-8-9-32-13-15(30)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,27,29)
InChIKeyWRLCDHHQXZABLT-UHFFFAOYSA-N
MW449.94 g/mol
LogP4.88
Rot. Bonds4

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

4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 146230353) has the molecular formula C24H24ClN5O2 and a molecular weight of 449.94 g/mol. Its IUPAC name is 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID146230353
Molecular FormulaC24H24ClN5O2
Molecular Weight449.94 g/mol
Exact Mass449.16
IUPAC Name4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOc1cc(Cl)ccc1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)ncc(C)c12
InChIInChI=1S/C24H24ClN5O2/c1-14-12-26-23(19-6-7-27-29-19)24-22(14)18(17-5-4-16(25)10-20(17)31-3)11-21(28-24)30-8-9-32-13-15(30)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,27,29)
InChIKeyWRLCDHHQXZABLT-UHFFFAOYSA-N
XLogP4.88
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500449.94
LogP ≤ 54.88
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(3R)-4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 130228884
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316
(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
CID 130229064
3-methyl-4-[5-methyl-4-(2-methyl-1,3-thiazol-5-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 130245734
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 138610653
(3R)-4-[4-(3,5-dimethyl-1,2,4-triazol-4-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 167020320
diethyl-[[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]imino]-oxo-λ6-sulfane
CID 130245982
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
(3R)-3-methyl-4-[4-(4-methylthiophen-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 118890708

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 146230353) is 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is COc1cc(Cl)ccc1-c1cc(N2CCOCC2C)nc2c(-c3ccn[nH]3)ncc(C)c12.
What is the InChIKey of 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is WRLCDHHQXZABLT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H24ClN5O2/c1-14-12-26-23(19-6-7-27-29-19)24-22(14)18(17-5-4-16(25)10-20(17)31-3)11-21(28-24)30-8-9-32-13-15(30)2/h4-7,10-12,15H,8-9,13H2,1-3H3,(H,27,29).
What are the key properties of 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 449.94 g/mol, XLogP of 4.88, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 146230353), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).