2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone

C35H33F3N6O2 — CID 119098978

IUPAC2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCOc1ccc2cc(CC(=O)N3CCC(Nc4ccc(-c5cc(C)cc(Nc6cc(C(F)(F)F)ccn6)n5)cn4)CC3)ccc2c1
InChIInChI=1S/C35H33F3N6O2/c1-22-15-30(42-33(16-22)43-32-20-27(9-12-39-32)35(36,37)38)26-6-8-31(40-21-26)41-28-10-13-44(14-11-28)34(45)18-23-3-4-25-19-29(46-2)7-5-24(25)17-23/h3-9,12,15-17,19-21,28H,10-11,13-14,18H2,1-2H3,(H,40,41)(H,39,42,43)
InChIKeyGKVPMPWZPLOILX-UHFFFAOYSA-N
MW626.68 g/mol
LogP7.42
Rot. Bonds8

About 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone

2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone (PubChem CID 119098978) has the molecular formula C35H33F3N6O2 and a molecular weight of 626.68 g/mol. Its IUPAC name is 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone.

Molecular Properties

Compound Name2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
PubChem CID119098978
Molecular FormulaC35H33F3N6O2
Molecular Weight626.68 g/mol
Exact Mass626.26
IUPAC Name2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone
SMILESCOc1ccc2cc(CC(=O)N3CCC(Nc4ccc(-c5cc(C)cc(Nc6cc(C(F)(F)F)ccn6)n5)cn4)CC3)ccc2c1
InChIInChI=1S/C35H33F3N6O2/c1-22-15-30(42-33(16-22)43-32-20-27(9-12-39-32)35(36,37)38)26-6-8-31(40-21-26)41-28-10-13-44(14-11-28)34(45)18-23-3-4-25-19-29(46-2)7-5-24(25)17-23/h3-9,12,15-17,19-21,28H,10-11,13-14,18H2,1-2H3,(H,40,41)(H,39,42,43)
InChIKeyGKVPMPWZPLOILX-UHFFFAOYSA-N
XLogP7.42
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500626.68
LogP ≤ 57.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone 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

7-({2-[(Cyclopropylcarbonyl)amino]pyridin-4-yl}oxy)-N-[3-[(isopropylamino)methyl]-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355459
(2S)-7-{[2-(acetylamino)pyridin-4-yl]oxy}-N-[3-(aminomethyl)-5-(trifluoromethyl)phenyl]-1,2,3,4-tetrahydronaphthalene-2-carboxamide
CID 51355733
N-[[4-(3-methoxyphenyl)phenyl]methyl]-4-(1,8-naphthyridin-2-yl)butanamide
CID 71449506
4-(1,8-naphthyridin-2-yl)-N-[[4-[3-(trifluoromethoxy)phenyl]phenyl]methyl]butanamide
CID 71454858
N-methyl-6-[[2-[(4-piperidin-4-ylbenzoyl)amino]-4-pyridinyl]oxy]naphthalene-1-carboxamide
CID 145351784
2-(6-methoxynaphthalen-2-yl)-N-(4-methylpyridin-2-yl)propanamide
CID 42919272
N-(2-(2-(4-methoxyphenyl)-3-oxo-6-((4-(trifluoromethyl)pyridin-2-yl)methylamino)pyrido[2,3-b]pyrazin-4(3H)-yl)ethyl)acetamide
CID 44573270
N-[3-(4-methoxyphenyl)-5-(trifluoromethyl)phenyl]-4-methyl-3-[(4-pyridin-3-yl-2-pyridinyl)amino]benzamide
CID 168298533
R-Impp
CID 122198706
US9877957, Example 22
CID 118930588
1-[4-[[5-[4-Methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]-2-(2-phenylphenoxy)ethanone
CID 119098950
(6-Hydroxynaphthalen-1-yl)-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]methanone
CID 119098964

Frequently Asked Questions

What is the IUPAC name of 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The IUPAC name of 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone (CID 119098978) is 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone.
What is the SMILES notation for 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The canonical SMILES for 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone is COc1ccc2cc(CC(=O)N3CCC(Nc4ccc(-c5cc(C)cc(Nc6cc(C(F)(F)F)ccn6)n5)cn4)CC3)ccc2c1.
What is the InChIKey of 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
The InChIKey is GKVPMPWZPLOILX-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H33F3N6O2/c1-22-15-30(42-33(16-22)43-32-20-27(9-12-39-32)35(36,37)38)26-6-8-31(40-21-26)41-28-10-13-44(14-11-28)34(45)18-23-3-4-25-19-29(46-2)7-5-24(25)17-23/h3-9,12,15-17,19-21,28H,10-11,13-14,18H2,1-2H3,(H,40,41)(H,39,42,43).
What are the key properties of 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone?
2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone has a molecular weight of 626.68 g/mol, XLogP of 7.42, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-methoxynaphthalen-2-yl)-1-[4-[[5-[4-methyl-6-[[4-(trifluoromethyl)-2-pyridinyl]amino]-2-pyridinyl]-2-pyridinyl]amino]piperidin-1-yl]ethanone is sourced from PubChem (CID 119098978), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).