8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one

C24H23FN6O3 — CID 66888729

IUPAC8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(F)c3)n2)cn1
InChIInChI=1S/C24H23FN6O3/c1-14-13-31(7-8-34-14)20-4-3-17(10-18(20)25)29-22-21-15(5-6-26-23(21)32)9-19(30-22)16-11-27-24(33-2)28-12-16/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,26,32)(H,29,30)/t14-/m1/s1
InChIKeyUTRFEXWJYCTEAQ-CQSZACIVSA-N
MW462.49 g/mol
LogP3.50
Rot. Bonds5

About 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one

8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one (PubChem CID 66888729) has the molecular formula C24H23FN6O3 and a molecular weight of 462.49 g/mol. Its IUPAC name is 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one.

Molecular Properties

Compound Name8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
PubChem CID66888729
Molecular FormulaC24H23FN6O3
Molecular Weight462.49 g/mol
Exact Mass462.18
IUPAC Name8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
SMILESCOc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(F)c3)n2)cn1
InChIInChI=1S/C24H23FN6O3/c1-14-13-31(7-8-34-14)20-4-3-17(10-18(20)25)29-22-21-15(5-6-26-23(21)32)9-19(30-22)16-11-27-24(33-2)28-12-16/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,26,32)(H,29,30)/t14-/m1/s1
InChIKeyUTRFEXWJYCTEAQ-CQSZACIVSA-N
XLogP3.50
TPSA105.26 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.49
LogP ≤ 53.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

8-(3-fluoro-4-morpholin-4-ylanilino)-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one
CID 66888600
6-(2-ethoxypyrimidin-5-yl)-8-[3-methyl-4-[(2S)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 58094492
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(6-methoxy-3-pyridinyl)-2H-2,7-naphthyridin-1-one
CID 58093885
8-(3-fluoro-4-morpholin-4-ylanilino)-6-(3-methoxy-4-phosphanylphenyl)-2H-2,7-naphthyridin-1-one;methanamine
CID 143841234
8-[3-methyl-4-(2-methylmorpholin-4-yl)anilino]-6-propyl-2H-2,7-naphthyridin-1-one
CID 123764480
8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-propan-2-yl-2H-2,7-naphthyridin-1-one
CID 58166678
6-(2-aminopyrimidin-5-yl)-8-(3-methyl-4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58094223
8-[[6-[(2R)-2-methylmorpholin-4-yl]-3-pyridinyl]amino]-6-(2-methyl-1,3-thiazol-4-yl)-2H-2,7-naphthyridin-1-one
CID 58094353
6-(2-methoxypyrimidin-5-yl)-8-[4-piperidin-4-yl-3-(trifluoromethyl)anilino]-2H-2,7-naphthyridin-1-one
CID 58094475
6-(1-ethoxyethyl)-8-[3-methyl-4-[(2R)-2-methylmorpholin-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 58167282
6-(6-fluoro-3-pyridinyl)-8-(4-morpholin-4-ylanilino)-2H-2,7-naphthyridin-1-one
CID 58093889
6-(2-methoxypyrimidin-5-yl)-8-[3-methyl-4-[1-(2-morpholin-4-ylethyl)pyrazol-4-yl]anilino]-2H-2,7-naphthyridin-1-one
CID 66888514

Frequently Asked Questions

What is the IUPAC name of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
The IUPAC name of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one (CID 66888729) is 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one.
What is the SMILES notation for 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
The canonical SMILES for 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one is COc1ncc(-c2cc3cc[nH]c(=O)c3c(Nc3ccc(N4CCO[C@H](C)C4)c(F)c3)n2)cn1.
What is the InChIKey of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
The InChIKey is UTRFEXWJYCTEAQ-CQSZACIVSA-N. The full InChI is InChI=1S/C24H23FN6O3/c1-14-13-31(7-8-34-14)20-4-3-17(10-18(20)25)29-22-21-15(5-6-26-23(21)32)9-19(30-22)16-11-27-24(33-2)28-12-16/h3-6,9-12,14H,7-8,13H2,1-2H3,(H,26,32)(H,29,30)/t14-/m1/s1.
What are the key properties of 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one?
8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one has a molecular weight of 462.49 g/mol, XLogP of 3.50, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[3-fluoro-4-[(2R)-2-methylmorpholin-4-yl]anilino]-6-(2-methoxypyrimidin-5-yl)-2H-2,7-naphthyridin-1-one is sourced from PubChem (CID 66888729), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).