[8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide

C48H40F3N9O4 — CID 160827592

IUPAC[8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2cncc3ccc(C(=O)N4CCN(c5ccccn5)CC4)nc23)cc1.COc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(C(F)(F)F)nc4)nc23)cc1
InChIInChI=1S/C25H23N5O2.C23H17F3N4O2/c1-32-20-8-5-18(6-9-20)21-17-26-16-19-7-10-22(28-24(19)21)25(31)30-14-12-29(13-15-30)23-4-2-3-11-27-23;1-32-17-6-3-15(4-7-17)18-13-27-12-16-5-8-19(30-21(16)18)22(31)29-11-14-2-9-20(28-10-14)23(24,25)26/h2-11,16-17H,12-15H2,1H3;2-10,12-13H,11H2,1H3,(H,29,31)
InChIKeySGJQZSMNWZHMID-UHFFFAOYSA-N
MW863.90 g/mol
LogP8.31
Rot. Bonds9

About [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide

[8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (PubChem CID 160827592) has the molecular formula C48H40F3N9O4 and a molecular weight of 863.90 g/mol. Its IUPAC name is [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.

Molecular Properties

Compound Name[8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
PubChem CID160827592
Molecular FormulaC48H40F3N9O4
Molecular Weight863.90 g/mol
Exact Mass863.32
IUPAC Name[8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide
SMILESCOc1ccc(-c2cncc3ccc(C(=O)N4CCN(c5ccccn5)CC4)nc23)cc1.COc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(C(F)(F)F)nc4)nc23)cc1
InChIInChI=1S/C25H23N5O2.C23H17F3N4O2/c1-32-20-8-5-18(6-9-20)21-17-26-16-19-7-10-22(28-24(19)21)25(31)30-14-12-29(13-15-30)23-4-2-3-11-27-23;1-32-17-6-3-15(4-7-17)18-13-27-12-16-5-8-19(30-21(16)18)22(31)29-11-14-2-9-20(28-10-14)23(24,25)26/h2-11,16-17H,12-15H2,1H3;2-10,12-13H,11H2,1H3,(H,29,31)
InChIKeySGJQZSMNWZHMID-UHFFFAOYSA-N
XLogP8.31
TPSA148.45 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds9
Heavy Atoms64
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 500863.90
LogP ≤ 58.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide with MolForge

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Related Compounds

N-(3-imidazol-1-ylpropyl)-8-(4-methoxyphenyl)-1,6-naphthyridine-2-carboxamide
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CID 3238892
8-(4-methoxyphenyl)-N-(pyridin-4-ylmethyl)-1,6-naphthyridine-2-carboxamide
CID 4384722
[3-[6-[6-Methoxy-5-(trifluoromethyl)pyridin-3-yl]quinazolin-4-yl]phenyl]-(4-methylpiperazin-1-yl)methanone
CID 89517065
4-(4-Methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554797
4-(3-Fluoro-4-methoxyphenyl)-7-[2-(2-methylpyrimidin-5-yl)ethyl]quinoline-2-carboxamide
CID 89554872
4-(2-Fluoro-4-methoxyphenyl)-7-(2-(2-methylpyrimidin-5-yl)ethyl)quinoline-2-carboxamide
CID 89554892
[4-[7-(4-Methylpiperazin-1-yl)pyrido[3,2-d]pyrimidin-4-yl]piperidin-1-yl]-[4-(trifluoromethoxy)phenyl]methanone
CID 139466511
US8653087, III-413
CID 68036201
US8653087, III-562
CID 68036210
[2-(3-Methoxyphenyl)quinolin-4-yl]-(4-pyrimidin-2-ylpiperazin-1-yl)methanone
CID 1027508
(2-(4-Methoxyphenyl)quinolin-4-yl)(4-(pyridin-2-yl)piperazin-1-yl)methanone
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Frequently Asked Questions

What is the IUPAC name of [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The IUPAC name of [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide (CID 160827592) is [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide.
What is the SMILES notation for [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The canonical SMILES for [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is COc1ccc(-c2cncc3ccc(C(=O)N4CCN(c5ccccn5)CC4)nc23)cc1.COc1ccc(-c2cncc3ccc(C(=O)NCc4ccc(C(F)(F)F)nc4)nc23)cc1.
What is the InChIKey of [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
The InChIKey is SGJQZSMNWZHMID-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5O2.C23H17F3N4O2/c1-32-20-8-5-18(6-9-20)21-17-26-16-19-7-10-22(28-24(19)21)25(31)30-14-12-29(13-15-30)23-4-2-3-11-27-23;1-32-17-6-3-15(4-7-17)18-13-27-12-16-5-8-19(30-21(16)18)22(31)29-11-14-2-9-20(28-10-14)23(24,25)26/h2-11,16-17H,12-15H2,1H3;2-10,12-13H,11H2,1H3,(H,29,31).
What are the key properties of [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide?
[8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide has a molecular weight of 863.90 g/mol, XLogP of 8.31, 9 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for [8-(4-methoxyphenyl)-1,6-naphthyridin-2-yl]-(4-pyridin-2-ylpiperazin-1-yl)methanone;8-(4-methoxyphenyl)-N-[[6-(trifluoromethyl)-3-pyridinyl]methyl]-1,6-naphthyridine-2-carboxamide is sourced from PubChem (CID 160827592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).