4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine

C33H36FN5O2 — CID 143171165

IUPAC4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine
SMILESC=C(Nc1ccc(Oc2ccnc(N3CC(C)CC(C)C3)n2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C33H36FN5O2/c1-22-16-23(2)21-39(20-22)33-35-11-10-32(37-33)41-31-9-8-30(28-6-4-5-7-29(28)31)36-24(3)25-17-26(34)19-27(18-25)38-12-14-40-15-13-38/h4-11,17-19,22-23,36H,3,12-16,20-21H2,1-2H3
InChIKeyHJCPXLCYWKDCMP-UHFFFAOYSA-N
MW553.68 g/mol
LogP6.96
Rot. Bonds7

About 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine

4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine (PubChem CID 143171165) has the molecular formula C33H36FN5O2 and a molecular weight of 553.68 g/mol. Its IUPAC name is 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine.

Molecular Properties

Compound Name4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine
PubChem CID143171165
Molecular FormulaC33H36FN5O2
Molecular Weight553.68 g/mol
Exact Mass553.29
IUPAC Name4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine
SMILESC=C(Nc1ccc(Oc2ccnc(N3CC(C)CC(C)C3)n2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1
InChIInChI=1S/C33H36FN5O2/c1-22-16-23(2)21-39(20-22)33-35-11-10-32(37-33)41-31-9-8-30(28-6-4-5-7-29(28)31)36-24(3)25-17-26(34)19-27(18-25)38-12-14-40-15-13-38/h4-11,17-19,22-23,36H,3,12-16,20-21H2,1-2H3
InChIKeyHJCPXLCYWKDCMP-UHFFFAOYSA-N
XLogP6.96
TPSA62.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500553.68
LogP ≤ 56.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

ethyl 4-[4-[4-[(3-fluoro-5-morpholin-4-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553265
3-fluoro-N-[4-(2-methylsulfonylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553095
3-fluoro-N-[4-[2-(2-methoxyethylamino)pyrimidin-4-yl]oxynaphthalen-1-yl]-5-morpholin-4-ylbenzamide
CID 59553354
N-[4-[2-[2,2-dimethoxyethyl(methyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-morpholin-4-ylbenzamide
CID 59553499
ethyl 4-[4-[4-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553386
N-[4-[2-(4-acetamidopiperidin-1-yl)pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59553103
N-[4-[2-[4-(3,3-dimethylbutanoyl)piperazin-1-yl]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 59660578
3-fluoro-N-[4-(2-methylsulfanylpyrimidin-4-yl)oxynaphthalen-1-yl]-5-pyrrolidin-1-ylbenzamide
CID 59553205
tert-butyl 4-[4-[4-[(3-fluoro-5-piperidin-1-ylbenzoyl)amino]naphthalen-1-yl]oxypyrimidin-2-yl]piperazine-1-carboxylate
CID 59553114
3-fluoro-N-[4-[2-[methyl(prop-2-ynyl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59553122
3-fluoro-N-[4-[2-[[(2S)-oxolan-2-yl]methylamino]pyrimidin-4-yl]oxynaphthalen-1-yl]-5-piperidin-1-ylbenzamide
CID 59614465
carbon dioxide;N-[4-[2-[(1-ethylpiperidin-4-yl)amino]pyrimidin-4-yl]oxynaphthalen-1-yl]-3-fluoro-5-piperidin-1-ylbenzamide
CID 159743176

Frequently Asked Questions

What is the IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine?
The IUPAC name of 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine (CID 143171165) is 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine.
What is the SMILES notation for 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine?
The canonical SMILES for 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine is C=C(Nc1ccc(Oc2ccnc(N3CC(C)CC(C)C3)n2)c2ccccc12)c1cc(F)cc(N2CCOCC2)c1.
What is the InChIKey of 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine?
The InChIKey is HJCPXLCYWKDCMP-UHFFFAOYSA-N. The full InChI is InChI=1S/C33H36FN5O2/c1-22-16-23(2)21-39(20-22)33-35-11-10-32(37-33)41-31-9-8-30(28-6-4-5-7-29(28)31)36-24(3)25-17-26(34)19-27(18-25)38-12-14-40-15-13-38/h4-11,17-19,22-23,36H,3,12-16,20-21H2,1-2H3.
What are the key properties of 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine?
4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine has a molecular weight of 553.68 g/mol, XLogP of 6.96, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(3,5-dimethylpiperidin-1-yl)pyrimidin-4-yl]oxy-N-[1-(3-fluoro-5-morpholin-4-ylphenyl)ethenyl]naphthalen-1-amine is sourced from PubChem (CID 143171165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).