(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine

C25H27N5O2 — CID 138610653

IUPAC(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOCc1cccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)c1
InChIInChI=1S/C25H27N5O2/c1-16-13-26-24(21-7-8-27-29-21)25-23(16)20(19-6-4-5-18(11-19)15-31-3)12-22(28-25)30-9-10-32-14-17(30)2/h4-8,11-13,17H,9-10,14-15H2,1-3H3,(H,27,29)/t17-/m1/s1
InChIKeyALCFPVTUPFHKEV-QGZVFWFLSA-N
MW429.52 g/mol
LogP4.37
Rot. Bonds5

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

(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (PubChem CID 138610653) has the molecular formula C25H27N5O2 and a molecular weight of 429.52 g/mol. Its IUPAC name is (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.

Molecular Properties

Compound Name(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
PubChem CID138610653
Molecular FormulaC25H27N5O2
Molecular Weight429.52 g/mol
Exact Mass429.22
IUPAC Name(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
SMILESCOCc1cccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)c1
InChIInChI=1S/C25H27N5O2/c1-16-13-26-24(21-7-8-27-29-21)25-23(16)20(19-6-4-5-18(11-19)15-31-3)12-22(28-25)30-9-10-32-14-17(30)2/h4-8,11-13,17H,9-10,14-15H2,1-3H3,(H,27,29)/t17-/m1/s1
InChIKeyALCFPVTUPFHKEV-QGZVFWFLSA-N
XLogP4.37
TPSA76.16 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500429.52
LogP ≤ 54.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316
3-methyl-4-[5-methyl-4-(3-methyl-4-pyridinyl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]morpholine
CID 146230330
2-fluoro-4-[5-methyl-2-[(3R)-3-methylmorpholin-4-yl]-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]aniline
CID 130245718
4-[4-isoquinolin-4-yl-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230357
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-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230353
(3R)-4-[4-(4-chloro-2-methoxyphenyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 130228884
(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-[5-methyl-2-(3-methylidenemorpholin-4-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-4-yl]phenyl]methanol
CID 163762456
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-[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
(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 (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The IUPAC name of (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine (CID 138610653) is (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine.
What is the SMILES notation for (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The canonical SMILES for (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is COCc1cccc(-c2cc(N3CCOC[C@H]3C)nc3c(-c4ccn[nH]4)ncc(C)c23)c1.
What is the InChIKey of (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
The InChIKey is ALCFPVTUPFHKEV-QGZVFWFLSA-N. The full InChI is InChI=1S/C25H27N5O2/c1-16-13-26-24(21-7-8-27-29-21)25-23(16)20(19-6-4-5-18(11-19)15-31-3)12-22(28-25)30-9-10-32-14-17(30)2/h4-8,11-13,17H,9-10,14-15H2,1-3H3,(H,27,29)/t17-/m1/s1.
What are the key properties of (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine?
(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine has a molecular weight of 429.52 g/mol, XLogP of 4.37, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine is sourced from PubChem (CID 138610653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).