(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine

C23H20F3N5O — CID 130229064

IUPAC(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cc(F)cc(F)c3F)c12
InChIInChI=1S/C23H20F3N5O/c1-12-10-27-22(18-3-4-28-30-18)23-20(12)15(16-7-14(24)8-17(25)21(16)26)9-19(29-23)31-5-6-32-11-13(31)2/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,28,30)/t13-/m1/s1
InChIKeyMDNYGAMEFDKZMA-CYBMUJFWSA-N
MW439.44 g/mol
LogP4.64
Rot. Bonds3

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

(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine (PubChem CID 130229064) has the molecular formula C23H20F3N5O and a molecular weight of 439.44 g/mol. Its IUPAC name is (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine.

Molecular Properties

Compound Name(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
PubChem CID130229064
Molecular FormulaC23H20F3N5O
Molecular Weight439.44 g/mol
Exact Mass439.16
IUPAC Name(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine
SMILESCc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cc(F)cc(F)c3F)c12
InChIInChI=1S/C23H20F3N5O/c1-12-10-27-22(18-3-4-28-30-18)23-20(12)15(16-7-14(24)8-17(25)21(16)26)9-19(29-23)31-5-6-32-11-13(31)2/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,28,30)/t13-/m1/s1
InChIKeyMDNYGAMEFDKZMA-CYBMUJFWSA-N
XLogP4.64
TPSA66.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500439.44
LogP ≤ 54.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Related Compounds

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)-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
4-[4-(6-methoxy-3-pyridinyl)-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 146230316
(3R)-4-[5-fluoro-4-(2-methylpyrazol-3-yl)-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 163408900
(3R)-4-[4-[3-(methoxymethyl)phenyl]-5-methyl-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 138610653
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-(2,6-diazaspiro[3.4]octan-6-yl)-5-fluoro-8-(1H-pyrazol-5-yl)-1,7-naphthyridin-2-yl]-3-methylmorpholine
CID 170688158

Frequently Asked Questions

What is the IUPAC name of (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine?
The IUPAC name of (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine (CID 130229064) is (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine.
What is the SMILES notation for (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine?
The canonical SMILES for (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine is Cc1cnc(-c2ccn[nH]2)c2nc(N3CCOC[C@H]3C)cc(-c3cc(F)cc(F)c3F)c12.
What is the InChIKey of (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine?
The InChIKey is MDNYGAMEFDKZMA-CYBMUJFWSA-N. The full InChI is InChI=1S/C23H20F3N5O/c1-12-10-27-22(18-3-4-28-30-18)23-20(12)15(16-7-14(24)8-17(25)21(16)26)9-19(29-23)31-5-6-32-11-13(31)2/h3-4,7-10,13H,5-6,11H2,1-2H3,(H,28,30)/t13-/m1/s1.
What are the key properties of (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine?
(3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine has a molecular weight of 439.44 g/mol, XLogP of 4.64, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-methyl-4-[5-methyl-8-(1H-pyrazol-5-yl)-4-(2,3,5-trifluorophenyl)-1,7-naphthyridin-2-yl]morpholine is sourced from PubChem (CID 130229064), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).